Chlorine in PDB 7qdq: Crystal Structure of HDM2 in Complex with Caylin-1
Protein crystallography data
The structure of Crystal Structure of HDM2 in Complex with Caylin-1, PDB code: 7qdq
was solved by
A.D.Finke,
M.A.Walti,
M.E.Marsh,
J.Orts,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
33.80 /
1.26
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
41.641,
43.675,
53.351,
90,
90,
90
|
|
R / Rfree (%)
|
18.2 /
21.6
|
Other elements in 7qdq:
The structure of Crystal Structure of HDM2 in Complex with Caylin-1 also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of HDM2 in Complex with Caylin-1
(pdb code 7qdq). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Crystal Structure of HDM2 in Complex with Caylin-1, PDB code: 7qdq:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 1 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:29.0
occ:1.00
|
O
|
A:HOH386
|
2.3
|
35.0
|
1.0
|
|
H
|
A:THR26
|
2.5
|
15.8
|
1.0
|
|
H
|
A:LYS51
|
2.7
|
16.3
|
1.0
|
|
HB
|
A:THR49
|
2.8
|
17.5
|
1.0
|
|
HB3
|
A:MET50
|
3.0
|
17.6
|
0.8
|
|
H
|
A:MET50
|
3.0
|
16.0
|
0.2
|
|
HA
|
A:GLU25
|
3.1
|
18.5
|
1.0
|
|
H
|
A:MET50
|
3.1
|
15.8
|
0.8
|
|
HB2
|
A:MET50
|
3.2
|
18.0
|
0.2
|
|
N
|
A:THR26
|
3.3
|
13.2
|
1.0
|
|
HB2
|
A:LYS51
|
3.4
|
30.0
|
1.0
|
|
HG3
|
A:GLU25
|
3.4
|
25.2
|
1.0
|
|
N
|
A:LYS51
|
3.4
|
13.6
|
1.0
|
|
N
|
A:MET50
|
3.5
|
13.3
|
0.2
|
|
N
|
A:MET50
|
3.5
|
13.1
|
0.8
|
|
HG1
|
A:THR49
|
3.7
|
19.1
|
1.0
|
|
CB
|
A:THR49
|
3.8
|
14.6
|
1.0
|
|
HG3
|
A:LYS51
|
3.8
|
45.8
|
1.0
|
|
O
|
A:THR26
|
3.8
|
16.8
|
1.0
|
|
HB
|
A:THR26
|
3.8
|
16.3
|
1.0
|
|
CB
|
A:MET50
|
3.8
|
14.7
|
0.8
|
|
CA
|
A:GLU25
|
3.9
|
15.4
|
1.0
|
|
O
|
A:HOH312
|
3.9
|
27.5
|
1.0
|
|
CB
|
A:MET50
|
3.9
|
15.0
|
0.2
|
|
HD2
|
A:LYS51
|
4.0
|
49.8
|
1.0
|
|
CA
|
A:MET50
|
4.0
|
13.4
|
0.8
|
|
CA
|
A:MET50
|
4.1
|
13.5
|
0.2
|
|
CB
|
A:LYS51
|
4.1
|
25.0
|
1.0
|
|
C
|
A:GLU25
|
4.1
|
12.4
|
1.0
|
|
CG
|
A:GLU25
|
4.1
|
21.0
|
1.0
|
|
OG1
|
A:THR49
|
4.2
|
15.9
|
1.0
|
|
HB2
|
A:MET50
|
4.2
|
17.6
|
0.8
|
|
HG1
|
A:THR26
|
4.2
|
16.4
|
1.0
|
|
C
|
A:MET50
|
4.2
|
12.6
|
0.2
|
|
C
|
A:MET50
|
4.2
|
12.5
|
0.8
|
|
HG2
|
A:GLU25
|
4.2
|
25.2
|
1.0
|
|
CA
|
A:THR26
|
4.2
|
11.7
|
1.0
|
|
CG
|
A:LYS51
|
4.3
|
38.2
|
1.0
|
|
HB3
|
A:MET50
|
4.3
|
18.0
|
0.2
|
|
C
|
A:THR49
|
4.3
|
13.0
|
1.0
|
|
CA
|
A:LYS51
|
4.3
|
15.0
|
1.0
|
|
HD3
|
A:LYS51
|
4.4
|
49.8
|
1.0
|
|
CB
|
A:THR26
|
4.4
|
13.6
|
1.0
|
|
CD
|
A:LYS51
|
4.4
|
41.5
|
1.0
|
|
HA
|
A:THR49
|
4.5
|
15.2
|
1.0
|
|
C
|
A:THR26
|
4.5
|
12.8
|
1.0
|
|
CA
|
A:THR49
|
4.5
|
12.7
|
1.0
|
|
CB
|
A:GLU25
|
4.5
|
16.1
|
1.0
|
|
HG21
|
A:THR49
|
4.7
|
24.2
|
1.0
|
|
O
|
A:GLN24
|
4.7
|
14.9
|
0.2
|
|
HA
|
A:LYS51
|
4.8
|
18.0
|
1.0
|
|
OG1
|
A:THR26
|
4.8
|
13.7
|
1.0
|
|
CG2
|
A:THR49
|
4.8
|
20.2
|
1.0
|
|
HB2
|
A:GLU25
|
4.8
|
19.4
|
1.0
|
|
O
|
A:GLN24
|
4.9
|
12.3
|
0.6
|
|
HB3
|
A:LYS51
|
4.9
|
30.0
|
1.0
|
|
HG22
|
A:THR49
|
5.0
|
24.2
|
1.0
|
|
CG
|
A:MET50
|
5.0
|
14.8
|
0.8
|
|
HG3
|
A:MET50
|
5.0
|
17.8
|
0.8
|
|
HA
|
A:MET50
|
5.0
|
16.1
|
0.8
|
|
Chlorine binding site 2 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 2 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:32.8
occ:1.00
|
H
|
A:LEU33
|
2.9
|
15.1
|
1.0
|
|
HD2
|
A:PRO32
|
3.1
|
14.0
|
1.0
|
|
HB3
|
A:LYS31
|
3.2
|
15.9
|
1.0
|
|
HE2
|
A:LYS31
|
3.4
|
23.6
|
1.0
|
|
HB3
|
A:LEU33
|
3.6
|
19.7
|
1.0
|
|
HB2
|
A:PRO32
|
3.7
|
18.3
|
1.0
|
|
N
|
A:LEU33
|
3.8
|
12.6
|
1.0
|
|
O
|
A:HOH343
|
3.8
|
18.4
|
1.0
|
|
HB2
|
A:LEU33
|
3.8
|
19.7
|
1.0
|
|
CD
|
A:PRO32
|
3.9
|
11.7
|
1.0
|
|
CB
|
A:LEU33
|
4.1
|
16.4
|
1.0
|
|
N
|
A:PRO32
|
4.1
|
12.3
|
1.0
|
|
CB
|
A:LYS31
|
4.1
|
13.2
|
1.0
|
|
O
|
A:HOH301
|
4.2
|
31.3
|
1.0
|
|
HG2
|
A:PRO32
|
4.2
|
19.3
|
1.0
|
|
HB2
|
A:LYS31
|
4.3
|
15.9
|
1.0
|
|
CB
|
A:PRO32
|
4.3
|
15.3
|
1.0
|
|
CE
|
A:LYS31
|
4.4
|
19.6
|
1.0
|
|
CG
|
A:PRO32
|
4.4
|
16.1
|
1.0
|
|
CA
|
A:LEU33
|
4.5
|
13.6
|
1.0
|
|
CA
|
A:PRO32
|
4.6
|
12.2
|
1.0
|
|
HE3
|
A:LYS31
|
4.6
|
23.6
|
1.0
|
|
C
|
A:PRO32
|
4.6
|
11.1
|
1.0
|
|
HD3
|
A:PRO32
|
4.7
|
14.0
|
1.0
|
|
C
|
A:LYS31
|
4.7
|
10.6
|
1.0
|
|
HG2
|
A:LYS31
|
4.9
|
19.5
|
1.0
|
|
HZ2
|
A:LYS31
|
4.9
|
21.8
|
1.0
|
|
H
|
A:LEU34
|
4.9
|
11.9
|
1.0
|
|
CG
|
A:LYS31
|
5.0
|
16.2
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 3 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:58.2
occ:1.00
|
H23
|
A:DMS208
|
2.4
|
12.7
|
1.0
|
|
OE1
|
A:GLU95
|
2.8
|
15.1
|
1.0
|
|
HE3
|
A:LYS98
|
3.0
|
17.4
|
1.0
|
|
C2
|
A:DMS208
|
3.1
|
10.6
|
1.0
|
|
H21
|
A:DMS208
|
3.2
|
12.7
|
1.0
|
|
HG2
|
A:GLU95
|
3.2
|
12.5
|
1.0
|
|
HB3
|
A:GLU95
|
3.3
|
9.5
|
1.0
|
|
HB2
|
A:LYS98
|
3.5
|
13.4
|
1.0
|
|
CD
|
A:GLU95
|
3.7
|
12.0
|
1.0
|
|
CG
|
A:GLU95
|
3.8
|
10.4
|
1.0
|
|
O
|
A:DMS208
|
3.8
|
30.8
|
1.0
|
|
S
|
A:DMS208
|
3.9
|
51.8
|
1.0
|
|
HZ2
|
A:LYS98
|
3.9
|
18.4
|
1.0
|
|
CE
|
A:LYS98
|
3.9
|
14.5
|
1.0
|
|
CB
|
A:GLU95
|
4.0
|
7.9
|
1.0
|
|
H22
|
A:DMS208
|
4.0
|
12.7
|
1.0
|
|
HZ1
|
A:LYS98
|
4.1
|
18.4
|
1.0
|
|
NZ
|
A:LYS98
|
4.2
|
15.3
|
1.0
|
|
HB3
|
A:LYS98
|
4.3
|
13.4
|
1.0
|
|
CB
|
A:LYS98
|
4.3
|
11.2
|
1.0
|
|
HA
|
A:GLU95
|
4.4
|
11.4
|
1.0
|
|
HD2
|
A:LYS98
|
4.4
|
17.0
|
1.0
|
|
HE2
|
A:LYS98
|
4.6
|
17.4
|
1.0
|
|
H
|
A:LYS98
|
4.6
|
11.2
|
1.0
|
|
CD
|
A:LYS98
|
4.7
|
14.2
|
1.0
|
|
HG3
|
A:GLU95
|
4.7
|
12.5
|
1.0
|
|
HB2
|
A:GLU95
|
4.7
|
9.5
|
1.0
|
|
CA
|
A:GLU95
|
4.7
|
9.5
|
1.0
|
|
OE2
|
A:GLU95
|
4.8
|
12.0
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 4 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:15.1
occ:0.54
|
CL
|
A:AU0207
|
0.0
|
15.1
|
0.5
|
|
CL
|
A:AU0207
|
0.9
|
13.1
|
0.5
|
|
C15
|
A:AU0207
|
1.7
|
11.8
|
0.5
|
|
C15
|
A:AU0207
|
2.1
|
11.1
|
0.5
|
|
HG22
|
A:ILE99
|
2.6
|
16.2
|
0.7
|
|
H16
|
A:AU0207
|
2.6
|
14.9
|
0.5
|
|
C14
|
A:AU0207
|
2.7
|
12.2
|
0.5
|
|
HB
|
A:ILE99
|
2.7
|
13.8
|
0.7
|
|
H16
|
A:AU0207
|
2.7
|
14.6
|
0.5
|
|
C16
|
A:AU0207
|
2.7
|
14.0
|
0.5
|
|
C14
|
A:AU0207
|
2.8
|
12.4
|
0.5
|
|
HB
|
A:ILE99
|
2.8
|
15.9
|
0.3
|
|
HA
|
A:HIS96
|
2.9
|
11.8
|
1.0
|
|
HG21
|
A:ILE99
|
3.1
|
16.2
|
0.7
|
|
CG2
|
A:ILE99
|
3.1
|
13.5
|
0.7
|
|
C16
|
A:AU0207
|
3.3
|
12.9
|
0.5
|
|
HG22
|
A:ILE99
|
3.3
|
15.0
|
0.3
|
|
CB
|
A:ILE99
|
3.3
|
11.5
|
0.7
|
|
CL1
|
A:AU0207
|
3.3
|
17.2
|
0.5
|
|
O
|
A:HIS96
|
3.5
|
9.5
|
1.0
|
|
H
|
A:TYR100
|
3.5
|
11.1
|
1.0
|
|
CD2
|
A:TYR100
|
3.6
|
16.1
|
1.0
|
|
HD2
|
A:TYR100
|
3.6
|
19.4
|
1.0
|
|
CB
|
A:ILE99
|
3.6
|
13.3
|
0.3
|
|
HB3
|
A:HIS96
|
3.6
|
15.9
|
1.0
|
|
HD21
|
A:LEU54
|
3.7
|
20.7
|
1.0
|
|
CA
|
A:HIS96
|
3.7
|
9.8
|
1.0
|
|
CE2
|
A:TYR100
|
3.7
|
18.8
|
1.0
|
|
CG2
|
A:ILE99
|
3.7
|
12.5
|
0.3
|
|
HE2
|
A:TYR100
|
3.7
|
22.5
|
1.0
|
|
CL1
|
A:AU0207
|
3.7
|
12.8
|
0.5
|
|
HG21
|
A:ILE99
|
3.8
|
15.0
|
0.3
|
|
CG
|
A:HIS96
|
3.8
|
14.7
|
1.0
|
|
HD12
|
A:ILE99
|
3.8
|
16.9
|
0.7
|
|
HD22
|
A:LEU54
|
3.9
|
20.7
|
1.0
|
|
CB
|
A:HIS96
|
3.9
|
13.3
|
1.0
|
|
N
|
A:TYR100
|
3.9
|
9.2
|
1.0
|
|
C13
|
A:AU0207
|
4.0
|
12.6
|
0.5
|
|
HD13
|
A:ILE99
|
4.0
|
16.9
|
0.7
|
|
C17
|
A:AU0207
|
4.0
|
12.9
|
0.5
|
|
HG23
|
A:ILE99
|
4.0
|
16.2
|
0.7
|
|
C
|
A:HIS96
|
4.1
|
9.4
|
1.0
|
|
CD2
|
A:HIS96
|
4.1
|
13.3
|
1.0
|
|
C13
|
A:AU0207
|
4.1
|
13.0
|
0.5
|
|
CG
|
A:TYR100
|
4.1
|
13.1
|
1.0
|
|
ND1
|
A:HIS96
|
4.2
|
21.9
|
1.0
|
|
CD2
|
A:LEU54
|
4.2
|
17.2
|
1.0
|
|
CD1
|
A:ILE99
|
4.2
|
14.1
|
0.7
|
|
HD2
|
A:HIS96
|
4.3
|
16.0
|
1.0
|
|
C
|
A:ILE99
|
4.3
|
7.9
|
1.0
|
|
CZ
|
A:TYR100
|
4.4
|
17.9
|
1.0
|
|
CG1
|
A:ILE99
|
4.4
|
15.5
|
0.7
|
|
CA
|
A:ILE99
|
4.4
|
9.2
|
0.7
|
|
HD1
|
A:HIS96
|
4.4
|
26.2
|
1.0
|
|
CA
|
A:ILE99
|
4.4
|
9.4
|
0.3
|
|
C17
|
A:AU0207
|
4.5
|
10.7
|
0.5
|
|
HA
|
A:TYR100
|
4.5
|
10.2
|
1.0
|
|
C12
|
A:AU0207
|
4.5
|
16.4
|
0.5
|
|
HD23
|
A:LEU54
|
4.6
|
20.7
|
1.0
|
|
NE2
|
A:HIS96
|
4.6
|
16.7
|
1.0
|
|
H
|
A:ILE99
|
4.6
|
12.0
|
1.0
|
|
CE1
|
A:HIS96
|
4.6
|
19.1
|
1.0
|
|
H15
|
A:AU0207
|
4.6
|
15.1
|
0.5
|
|
CA
|
A:TYR100
|
4.6
|
8.5
|
1.0
|
|
HG23
|
A:ILE99
|
4.7
|
15.0
|
0.3
|
|
H15
|
A:AU0207
|
4.7
|
15.6
|
0.5
|
|
CD1
|
A:TYR100
|
4.7
|
18.1
|
1.0
|
|
CG1
|
A:ILE99
|
4.7
|
13.7
|
0.3
|
|
CB
|
A:TYR100
|
4.7
|
11.2
|
1.0
|
|
HB2
|
A:TYR100
|
4.7
|
13.5
|
1.0
|
|
H17
|
A:AU0207
|
4.8
|
15.5
|
0.5
|
|
HG12
|
A:ILE99
|
4.8
|
16.5
|
0.3
|
|
HD12
|
A:ILE103
|
4.8
|
15.4
|
1.0
|
|
HG13
|
A:ILE99
|
4.8
|
16.5
|
0.3
|
|
CE1
|
A:TYR100
|
4.8
|
21.2
|
1.0
|
|
C12
|
A:AU0207
|
4.9
|
15.2
|
0.5
|
|
N
|
A:HIS96
|
4.9
|
8.1
|
1.0
|
|
HB2
|
A:HIS96
|
4.9
|
15.9
|
1.0
|
|
O
|
A:GLU95
|
4.9
|
9.4
|
1.0
|
|
N
|
A:ILE99
|
4.9
|
10.0
|
1.0
|
|
HG13
|
A:ILE99
|
5.0
|
18.6
|
0.7
|
|
HG12
|
A:ILE99
|
5.0
|
18.6
|
0.7
|
|
Chlorine binding site 5 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 5 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:13.1
occ:0.46
|
CL
|
A:AU0207
|
0.0
|
13.1
|
0.5
|
|
CL
|
A:AU0207
|
0.9
|
15.1
|
0.5
|
|
C15
|
A:AU0207
|
1.5
|
11.8
|
0.5
|
|
C15
|
A:AU0207
|
1.7
|
11.1
|
0.5
|
|
H16
|
A:AU0207
|
2.1
|
14.6
|
0.5
|
|
C14
|
A:AU0207
|
2.1
|
12.2
|
0.5
|
|
C16
|
A:AU0207
|
2.6
|
12.9
|
0.5
|
|
C14
|
A:AU0207
|
2.7
|
12.4
|
0.5
|
|
H16
|
A:AU0207
|
2.8
|
14.9
|
0.5
|
|
C16
|
A:AU0207
|
2.8
|
14.0
|
0.5
|
|
CL1
|
A:AU0207
|
3.0
|
12.8
|
0.5
|
|
HA
|
A:HIS96
|
3.1
|
11.8
|
1.0
|
|
HE2
|
A:TYR100
|
3.2
|
22.5
|
1.0
|
|
HB3
|
A:HIS96
|
3.3
|
15.9
|
1.0
|
|
CE2
|
A:TYR100
|
3.3
|
18.8
|
1.0
|
|
CG
|
A:HIS96
|
3.3
|
14.7
|
1.0
|
|
HG22
|
A:ILE99
|
3.4
|
16.2
|
0.7
|
|
ND1
|
A:HIS96
|
3.5
|
21.9
|
1.0
|
|
C13
|
A:AU0207
|
3.5
|
12.6
|
0.5
|
|
HB
|
A:ILE99
|
3.5
|
13.8
|
0.7
|
|
CD2
|
A:TYR100
|
3.5
|
16.1
|
1.0
|
|
HD2
|
A:TYR100
|
3.6
|
19.4
|
1.0
|
|
HB
|
A:ILE99
|
3.6
|
15.9
|
0.3
|
|
CB
|
A:HIS96
|
3.6
|
13.3
|
1.0
|
|
HD1
|
A:HIS96
|
3.6
|
26.2
|
1.0
|
|
CL1
|
A:AU0207
|
3.7
|
17.2
|
0.5
|
|
CD2
|
A:HIS96
|
3.7
|
13.3
|
1.0
|
|
CA
|
A:HIS96
|
3.8
|
9.8
|
1.0
|
|
HD21
|
A:LEU54
|
3.8
|
20.7
|
1.0
|
|
HG21
|
A:ILE99
|
3.8
|
16.2
|
0.7
|
|
O
|
A:HIS96
|
3.9
|
9.5
|
1.0
|
|
HD22
|
A:LEU54
|
3.9
|
20.7
|
1.0
|
|
C17
|
A:AU0207
|
3.9
|
12.9
|
0.5
|
|
CE1
|
A:HIS96
|
3.9
|
19.1
|
1.0
|
|
CG2
|
A:ILE99
|
3.9
|
13.5
|
0.7
|
|
C13
|
A:AU0207
|
3.9
|
13.0
|
0.5
|
|
C17
|
A:AU0207
|
3.9
|
10.7
|
0.5
|
|
CZ
|
A:TYR100
|
4.0
|
17.9
|
1.0
|
|
NE2
|
A:HIS96
|
4.1
|
16.7
|
1.0
|
|
H15
|
A:AU0207
|
4.1
|
15.1
|
0.5
|
|
HG22
|
A:ILE99
|
4.1
|
15.0
|
0.3
|
|
HD2
|
A:HIS96
|
4.1
|
16.0
|
1.0
|
|
CB
|
A:ILE99
|
4.2
|
11.5
|
0.7
|
|
H
|
A:TYR100
|
4.2
|
11.1
|
1.0
|
|
C12
|
A:AU0207
|
4.2
|
16.4
|
0.5
|
|
CG
|
A:TYR100
|
4.3
|
13.1
|
1.0
|
|
CD2
|
A:LEU54
|
4.3
|
17.2
|
1.0
|
|
C
|
A:HIS96
|
4.3
|
9.4
|
1.0
|
|
HD12
|
A:ILE99
|
4.3
|
16.9
|
0.7
|
|
HH
|
A:TYR100
|
4.4
|
24.9
|
1.0
|
|
HE1
|
A:HIS96
|
4.4
|
22.9
|
1.0
|
|
CB
|
A:ILE99
|
4.4
|
13.3
|
0.3
|
|
HG21
|
A:ILE99
|
4.5
|
15.0
|
0.3
|
|
C12
|
A:AU0207
|
4.5
|
15.2
|
0.5
|
|
HD13
|
A:ILE99
|
4.5
|
16.9
|
0.7
|
|
OH
|
A:TYR100
|
4.6
|
20.8
|
1.0
|
|
CG2
|
A:ILE99
|
4.6
|
12.5
|
0.3
|
|
HB2
|
A:HIS96
|
4.6
|
15.9
|
1.0
|
|
N
|
A:TYR100
|
4.6
|
9.2
|
1.0
|
|
H15
|
A:AU0207
|
4.7
|
15.6
|
0.5
|
|
H17
|
A:AU0207
|
4.7
|
12.8
|
0.5
|
|
CE1
|
A:TYR100
|
4.7
|
21.2
|
1.0
|
|
H17
|
A:AU0207
|
4.7
|
15.5
|
0.5
|
|
HD13
|
A:LEU54
|
4.8
|
19.7
|
1.0
|
|
CD1
|
A:ILE99
|
4.8
|
14.1
|
0.7
|
|
CD1
|
A:TYR100
|
4.8
|
18.1
|
1.0
|
|
HD23
|
A:LEU54
|
4.8
|
20.7
|
1.0
|
|
HG23
|
A:ILE99
|
4.8
|
16.2
|
0.7
|
|
N
|
A:HIS96
|
5.0
|
8.1
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 6 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:17.2
occ:0.54
|
CL1
|
A:AU0207
|
0.0
|
17.2
|
0.5
|
|
HD13
|
A:ILE99
|
1.0
|
16.9
|
0.7
|
|
H16
|
A:AU0207
|
1.3
|
14.9
|
0.5
|
|
HD12
|
A:ILE99
|
1.3
|
16.9
|
0.7
|
|
CD1
|
A:ILE99
|
1.4
|
14.1
|
0.7
|
|
C16
|
A:AU0207
|
1.8
|
14.0
|
0.5
|
|
HD11
|
A:ILE99
|
2.1
|
16.9
|
0.7
|
|
C14
|
A:AU0207
|
2.2
|
12.4
|
0.5
|
|
HG21
|
A:ILE99
|
2.6
|
16.2
|
0.7
|
|
HG13
|
A:ILE99
|
2.6
|
16.5
|
0.3
|
|
CG1
|
A:ILE99
|
2.6
|
15.5
|
0.7
|
|
HB
|
A:ILE99
|
2.7
|
15.9
|
0.3
|
|
C17
|
A:AU0207
|
2.7
|
12.9
|
0.5
|
|
H17
|
A:AU0207
|
2.8
|
15.5
|
0.5
|
|
HG21
|
A:ILE99
|
2.8
|
15.0
|
0.3
|
|
H15
|
A:AU0207
|
2.8
|
15.6
|
0.5
|
|
HB
|
A:ILE99
|
2.8
|
13.8
|
0.7
|
|
C15
|
A:AU0207
|
2.8
|
11.8
|
0.5
|
|
C13
|
A:AU0207
|
3.0
|
13.0
|
0.5
|
|
HG12
|
A:ILE99
|
3.0
|
16.5
|
0.3
|
|
CB
|
A:ILE99
|
3.0
|
11.5
|
0.7
|
|
CG1
|
A:ILE99
|
3.0
|
13.7
|
0.3
|
|
CB
|
A:ILE99
|
3.1
|
13.3
|
0.3
|
|
HG12
|
A:ILE99
|
3.1
|
18.6
|
0.7
|
|
HA
|
A:VAL93
|
3.2
|
11.1
|
1.0
|
|
CG2
|
A:ILE99
|
3.2
|
13.5
|
0.7
|
|
C15
|
A:AU0207
|
3.3
|
11.1
|
0.5
|
|
HG13
|
A:ILE99
|
3.3
|
18.6
|
0.7
|
|
CL
|
A:AU0207
|
3.3
|
15.1
|
0.5
|
|
CG2
|
A:ILE99
|
3.4
|
12.5
|
0.3
|
|
O
|
A:VAL93
|
3.5
|
10.6
|
1.0
|
|
HD2
|
A:HIS96
|
3.5
|
16.0
|
1.0
|
|
HA
|
A:HIS96
|
3.5
|
11.8
|
1.0
|
|
HG22
|
A:ILE99
|
3.7
|
16.2
|
0.7
|
|
CL
|
A:AU0207
|
3.7
|
13.1
|
0.5
|
|
HG22
|
A:ILE99
|
3.8
|
15.0
|
0.3
|
|
HE2
|
A:PHE91
|
3.9
|
14.5
|
1.0
|
|
CD2
|
A:HIS96
|
3.9
|
13.3
|
1.0
|
|
HG23
|
A:ILE99
|
4.0
|
16.2
|
0.7
|
|
CA
|
A:VAL93
|
4.0
|
9.3
|
1.0
|
|
C
|
A:VAL93
|
4.0
|
10.2
|
1.0
|
|
C12
|
A:AU0207
|
4.1
|
16.4
|
0.5
|
|
C14
|
A:AU0207
|
4.1
|
12.2
|
0.5
|
|
O
|
A:GLU95
|
4.1
|
9.4
|
1.0
|
|
HB
|
A:VAL93
|
4.2
|
13.5
|
1.0
|
|
HG23
|
A:ILE99
|
4.2
|
15.0
|
0.3
|
|
C23
|
A:AU0207
|
4.3
|
7.1
|
0.5
|
|
C12
|
A:AU0207
|
4.4
|
15.2
|
0.5
|
|
NE2
|
A:HIS96
|
4.4
|
16.7
|
1.0
|
|
C22
|
A:AU0207
|
4.4
|
10.1
|
0.5
|
|
H
|
A:GLU95
|
4.4
|
9.8
|
1.0
|
|
HD2
|
A:PHE91
|
4.4
|
12.4
|
1.0
|
|
C
|
A:GLU95
|
4.4
|
7.2
|
1.0
|
|
CA
|
A:HIS96
|
4.4
|
9.8
|
1.0
|
|
O
|
A:SER92
|
4.5
|
8.9
|
1.0
|
|
CD1
|
A:ILE99
|
4.5
|
20.5
|
0.3
|
|
CL3
|
A:AU0207
|
4.5
|
12.4
|
0.5
|
|
C23
|
A:AU0207
|
4.5
|
10.1
|
0.5
|
|
C16
|
A:AU0207
|
4.5
|
12.9
|
0.5
|
|
C22
|
A:AU0207
|
4.5
|
9.5
|
0.5
|
|
C21
|
A:AU0207
|
4.6
|
13.5
|
0.5
|
|
HG12
|
A:VAL93
|
4.6
|
16.4
|
1.0
|
|
CA
|
A:ILE99
|
4.6
|
9.2
|
0.7
|
|
CE2
|
A:PHE91
|
4.6
|
12.1
|
1.0
|
|
C13
|
A:AU0207
|
4.6
|
12.6
|
0.5
|
|
CA
|
A:ILE99
|
4.6
|
9.4
|
0.3
|
|
CB
|
A:VAL93
|
4.6
|
11.2
|
1.0
|
|
H
|
A:ILE99
|
4.6
|
12.0
|
1.0
|
|
CG
|
A:HIS96
|
4.6
|
14.7
|
1.0
|
|
N
|
A:HIS96
|
4.7
|
8.1
|
1.0
|
|
C24
|
A:AU0207
|
4.7
|
11.5
|
0.5
|
|
HD11
|
A:ILE99
|
4.8
|
24.6
|
0.3
|
|
N
|
A:GLU95
|
4.8
|
8.2
|
1.0
|
|
H19
|
A:AU0207
|
4.8
|
16.2
|
0.5
|
|
CL2
|
A:AU0207
|
4.8
|
13.0
|
0.5
|
|
H16
|
A:AU0207
|
4.8
|
14.6
|
0.5
|
|
CD2
|
A:PHE91
|
4.9
|
10.3
|
1.0
|
|
C24
|
A:AU0207
|
4.9
|
10.5
|
0.5
|
|
C20
|
A:AU0207
|
4.9
|
7.1
|
0.5
|
|
HD12
|
A:ILE99
|
4.9
|
24.6
|
0.3
|
|
H20
|
A:AU0207
|
4.9
|
13.8
|
0.5
|
|
CL2
|
A:AU0207
|
4.9
|
11.8
|
0.5
|
|
C17
|
A:AU0207
|
5.0
|
10.7
|
0.5
|
|
Chlorine binding site 7 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 7 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:12.8
occ:0.46
|
CL1
|
A:AU0207
|
0.0
|
12.8
|
0.5
|
|
H16
|
A:AU0207
|
1.2
|
14.6
|
0.5
|
|
C16
|
A:AU0207
|
1.8
|
12.9
|
0.5
|
|
C14
|
A:AU0207
|
2.0
|
12.2
|
0.5
|
|
H15
|
A:AU0207
|
2.3
|
15.1
|
0.5
|
|
C13
|
A:AU0207
|
2.5
|
12.6
|
0.5
|
|
C15
|
A:AU0207
|
2.7
|
11.1
|
0.5
|
|
C17
|
A:AU0207
|
2.7
|
10.7
|
0.5
|
|
H17
|
A:AU0207
|
2.9
|
12.8
|
0.5
|
|
HD13
|
A:LEU54
|
2.9
|
19.7
|
1.0
|
|
HH
|
A:TYR100
|
3.0
|
24.9
|
1.0
|
|
CL
|
A:AU0207
|
3.0
|
13.1
|
0.5
|
|
C15
|
A:AU0207
|
3.2
|
11.8
|
0.5
|
|
OH
|
A:TYR100
|
3.3
|
20.8
|
1.0
|
|
O
|
A:HOH336
|
3.5
|
31.0
|
1.0
|
|
O
|
A:HOH402
|
3.6
|
42.9
|
1.0
|
|
HE2
|
A:TYR100
|
3.6
|
22.5
|
1.0
|
|
HD22
|
A:LEU54
|
3.7
|
20.7
|
1.0
|
|
CD1
|
A:LEU54
|
3.7
|
16.4
|
1.0
|
|
CL
|
A:AU0207
|
3.7
|
15.1
|
0.5
|
|
HE1
|
A:HIS96
|
3.8
|
22.9
|
1.0
|
|
CZ
|
A:TYR100
|
3.8
|
17.9
|
1.0
|
|
HD1
|
A:HIS96
|
3.8
|
26.2
|
1.0
|
|
HD11
|
A:LEU54
|
3.8
|
19.7
|
1.0
|
|
CE2
|
A:TYR100
|
3.9
|
18.8
|
1.0
|
|
C12
|
A:AU0207
|
3.9
|
16.4
|
0.5
|
|
CE1
|
A:HIS96
|
3.9
|
19.1
|
1.0
|
|
ND1
|
A:HIS96
|
3.9
|
21.9
|
1.0
|
|
HD21
|
A:LEU54
|
3.9
|
20.7
|
1.0
|
|
C14
|
A:AU0207
|
4.0
|
12.4
|
0.5
|
|
C12
|
A:AU0207
|
4.0
|
15.2
|
0.5
|
|
CD2
|
A:LEU54
|
4.2
|
17.2
|
1.0
|
|
O
|
A:HOH396
|
4.3
|
42.4
|
1.0
|
|
C16
|
A:AU0207
|
4.3
|
14.0
|
0.5
|
|
HD12
|
A:LEU54
|
4.4
|
19.7
|
1.0
|
|
HB3
|
A:LEU54
|
4.5
|
14.2
|
1.0
|
|
C13
|
A:AU0207
|
4.5
|
13.0
|
0.5
|
|
CG
|
A:LEU54
|
4.5
|
14.2
|
1.0
|
|
C17
|
A:AU0207
|
4.6
|
12.9
|
0.5
|
|
H16
|
A:AU0207
|
4.7
|
14.9
|
0.5
|
|
O
|
A:HOH391
|
4.7
|
25.2
|
1.0
|
|
NE2
|
A:HIS96
|
4.7
|
16.7
|
1.0
|
|
H
|
A:AU0207
|
4.7
|
11.8
|
0.5
|
|
CE1
|
A:TYR100
|
4.7
|
21.2
|
1.0
|
|
CG
|
A:HIS96
|
4.8
|
14.7
|
1.0
|
|
O
|
A:HOH370
|
4.9
|
36.9
|
1.0
|
|
CD2
|
A:TYR100
|
5.0
|
16.1
|
1.0
|
|
C11
|
A:AU0207
|
5.0
|
9.8
|
0.5
|
|
Chlorine binding site 8 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 8 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:11.8
occ:0.54
|
CL2
|
A:AU0207
|
0.0
|
11.8
|
0.5
|
|
CL2
|
A:AU0207
|
0.8
|
13.0
|
0.5
|
|
C22
|
A:AU0207
|
1.5
|
10.1
|
0.5
|
|
C22
|
A:AU0207
|
1.7
|
9.5
|
0.5
|
|
C23
|
A:AU0207
|
2.1
|
10.1
|
0.5
|
|
CL3
|
A:AU0207
|
2.4
|
13.7
|
0.5
|
|
C21
|
A:AU0207
|
2.6
|
10.4
|
0.5
|
|
H19
|
A:AU0207
|
2.7
|
12.5
|
0.5
|
|
C23
|
A:AU0207
|
2.7
|
7.1
|
0.5
|
|
C21
|
A:AU0207
|
2.7
|
13.5
|
0.5
|
|
H19
|
A:AU0207
|
3.1
|
16.2
|
0.5
|
|
HG21
|
A:ILE99
|
3.1
|
15.0
|
0.3
|
|
HB3
|
A:LEU57
|
3.2
|
13.4
|
1.0
|
|
CL3
|
A:AU0207
|
3.2
|
12.4
|
0.5
|
|
C24
|
A:AU0207
|
3.5
|
10.5
|
0.5
|
|
HD12
|
A:ILE61
|
3.5
|
11.1
|
1.0
|
|
HG21
|
A:ILE99
|
3.5
|
16.2
|
0.7
|
|
HZ
|
A:PHE86
|
3.5
|
18.8
|
1.0
|
|
HE2
|
A:PHE86
|
3.5
|
23.8
|
1.0
|
|
HD11
|
A:ILE61
|
3.6
|
11.1
|
1.0
|
|
HB2
|
A:LEU57
|
3.6
|
13.4
|
1.0
|
|
HG23
|
A:ILE99
|
3.7
|
15.0
|
0.3
|
|
HZ
|
A:PHE91
|
3.7
|
14.2
|
1.0
|
|
HG23
|
A:ILE99
|
3.8
|
16.2
|
0.7
|
|
CG2
|
A:ILE99
|
3.8
|
12.5
|
0.3
|
|
CB
|
A:LEU57
|
3.9
|
11.1
|
1.0
|
|
HD13
|
A:LEU57
|
3.9
|
17.0
|
1.0
|
|
C20
|
A:AU0207
|
3.9
|
7.1
|
0.5
|
|
C20
|
A:AU0207
|
3.9
|
12.9
|
0.5
|
|
CD1
|
A:ILE61
|
3.9
|
9.3
|
1.0
|
|
C24
|
A:AU0207
|
4.0
|
11.5
|
0.5
|
|
HD11
|
A:ILE103
|
4.0
|
15.4
|
1.0
|
|
HE2
|
A:PHE91
|
4.0
|
14.5
|
1.0
|
|
CG2
|
A:ILE99
|
4.1
|
13.5
|
0.7
|
|
HG22
|
A:ILE99
|
4.1
|
15.0
|
0.3
|
|
H20
|
A:AU0207
|
4.1
|
12.6
|
0.5
|
|
CZ
|
A:PHE86
|
4.2
|
15.7
|
1.0
|
|
CE2
|
A:PHE86
|
4.2
|
19.8
|
1.0
|
|
HD13
|
A:ILE61
|
4.2
|
11.1
|
1.0
|
|
C19
|
A:AU0207
|
4.2
|
11.6
|
0.5
|
|
HD13
|
A:ILE99
|
4.3
|
16.9
|
0.7
|
|
CZ
|
A:PHE91
|
4.4
|
11.8
|
1.0
|
|
HA2
|
A:GLY58
|
4.4
|
11.7
|
1.0
|
|
HG12
|
A:ILE99
|
4.4
|
18.6
|
0.7
|
|
C19
|
A:AU0207
|
4.5
|
11.4
|
0.5
|
|
HD12
|
A:LEU57
|
4.5
|
17.0
|
1.0
|
|
N
|
A:GLY58
|
4.5
|
8.7
|
1.0
|
|
C
|
A:LEU57
|
4.5
|
7.9
|
1.0
|
|
H
|
A:GLY58
|
4.5
|
10.4
|
1.0
|
|
HG13
|
A:ILE99
|
4.5
|
16.5
|
0.3
|
|
CE2
|
A:PHE91
|
4.5
|
12.1
|
1.0
|
|
CD1
|
A:LEU57
|
4.5
|
14.2
|
1.0
|
|
H18
|
A:AU0207
|
4.6
|
15.5
|
0.5
|
|
HG22
|
A:ILE99
|
4.6
|
16.2
|
0.7
|
|
H18
|
A:AU0207
|
4.7
|
8.5
|
0.5
|
|
H20
|
A:AU0207
|
4.7
|
13.8
|
0.5
|
|
CG
|
A:LEU57
|
4.8
|
10.8
|
1.0
|
|
O
|
A:LEU57
|
4.8
|
8.4
|
1.0
|
|
CA
|
A:LEU57
|
4.8
|
9.4
|
1.0
|
|
CA
|
A:GLY58
|
4.9
|
9.8
|
1.0
|
|
CL1
|
A:AU0207
|
4.9
|
17.2
|
0.5
|
|
CD1
|
A:ILE103
|
4.9
|
12.9
|
1.0
|
|
HD23
|
A:LEU54
|
4.9
|
20.7
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 9 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:13.0
occ:0.46
|
CL2
|
A:AU0207
|
0.0
|
13.0
|
0.5
|
|
CL2
|
A:AU0207
|
0.8
|
11.8
|
0.5
|
|
C22
|
A:AU0207
|
1.7
|
10.1
|
0.5
|
|
C22
|
A:AU0207
|
2.2
|
9.5
|
0.5
|
|
C23
|
A:AU0207
|
2.7
|
10.1
|
0.5
|
|
C21
|
A:AU0207
|
2.7
|
13.5
|
0.5
|
|
H19
|
A:AU0207
|
2.8
|
16.2
|
0.5
|
|
C23
|
A:AU0207
|
2.8
|
7.1
|
0.5
|
|
CL3
|
A:AU0207
|
2.9
|
12.4
|
0.5
|
|
HZ
|
A:PHE91
|
2.9
|
14.2
|
1.0
|
|
HE2
|
A:PHE86
|
3.0
|
23.8
|
1.0
|
|
HG21
|
A:ILE99
|
3.1
|
15.0
|
0.3
|
|
CL3
|
A:AU0207
|
3.1
|
13.7
|
0.5
|
|
HD11
|
A:ILE61
|
3.1
|
11.1
|
1.0
|
|
C21
|
A:AU0207
|
3.3
|
10.4
|
0.5
|
|
HD12
|
A:ILE61
|
3.3
|
11.1
|
1.0
|
|
HE2
|
A:PHE91
|
3.3
|
14.5
|
1.0
|
|
H19
|
A:AU0207
|
3.4
|
12.5
|
0.5
|
|
HZ
|
A:PHE86
|
3.5
|
18.8
|
1.0
|
|
HG21
|
A:ILE99
|
3.6
|
16.2
|
0.7
|
|
HG23
|
A:ILE99
|
3.6
|
15.0
|
0.3
|
|
CD1
|
A:ILE61
|
3.6
|
9.3
|
1.0
|
|
HB3
|
A:LEU57
|
3.6
|
13.4
|
1.0
|
|
CZ
|
A:PHE91
|
3.6
|
11.8
|
1.0
|
|
CE2
|
A:PHE86
|
3.7
|
19.8
|
1.0
|
|
CG2
|
A:ILE99
|
3.8
|
12.5
|
0.3
|
|
HG23
|
A:ILE99
|
3.8
|
16.2
|
0.7
|
|
HD13
|
A:ILE61
|
3.8
|
11.1
|
1.0
|
|
CE2
|
A:PHE91
|
3.8
|
12.1
|
1.0
|
|
CZ
|
A:PHE86
|
4.0
|
15.7
|
1.0
|
|
HG12
|
A:ILE99
|
4.0
|
18.6
|
0.7
|
|
C24
|
A:AU0207
|
4.0
|
10.5
|
0.5
|
|
C20
|
A:AU0207
|
4.0
|
7.1
|
0.5
|
|
HD13
|
A:ILE99
|
4.1
|
16.9
|
0.7
|
|
HG13
|
A:ILE99
|
4.1
|
16.5
|
0.3
|
|
CG2
|
A:ILE99
|
4.1
|
13.5
|
0.7
|
|
C24
|
A:AU0207
|
4.2
|
11.5
|
0.5
|
|
HG22
|
A:ILE99
|
4.2
|
15.0
|
0.3
|
|
HD13
|
A:LEU57
|
4.2
|
17.0
|
1.0
|
|
HB2
|
A:LEU57
|
4.3
|
13.4
|
1.0
|
|
CB
|
A:LEU57
|
4.4
|
11.1
|
1.0
|
|
HD11
|
A:ILE103
|
4.4
|
15.4
|
1.0
|
|
C20
|
A:AU0207
|
4.5
|
12.9
|
0.5
|
|
HD21
|
A:LEU82
|
4.5
|
21.4
|
1.0
|
|
C19
|
A:AU0207
|
4.6
|
11.6
|
0.5
|
|
HA2
|
A:GLY58
|
4.7
|
11.7
|
1.0
|
|
HD12
|
A:ILE99
|
4.7
|
24.6
|
0.3
|
|
CG1
|
A:ILE99
|
4.7
|
15.5
|
0.7
|
|
H20
|
A:AU0207
|
4.7
|
12.6
|
0.5
|
|
CD1
|
A:ILE99
|
4.7
|
14.1
|
0.7
|
|
H18
|
A:AU0207
|
4.7
|
8.5
|
0.5
|
|
HD11
|
A:LEU82
|
4.8
|
23.3
|
1.0
|
|
CE1
|
A:PHE91
|
4.8
|
11.3
|
1.0
|
|
HG22
|
A:ILE99
|
4.8
|
16.2
|
0.7
|
|
H20
|
A:AU0207
|
4.8
|
13.8
|
0.5
|
|
CL1
|
A:AU0207
|
4.8
|
17.2
|
0.5
|
|
HG21
|
A:VAL75
|
4.8
|
13.9
|
1.0
|
|
CG1
|
A:ILE99
|
4.9
|
13.7
|
0.3
|
|
C19
|
A:AU0207
|
4.9
|
11.4
|
0.5
|
|
HD11
|
A:ILE99
|
4.9
|
16.9
|
0.7
|
|
C
|
A:LEU57
|
4.9
|
7.9
|
1.0
|
|
CB
|
A:ILE99
|
4.9
|
13.3
|
0.3
|
|
N
|
A:GLY58
|
5.0
|
8.7
|
1.0
|
|
CD2
|
A:PHE86
|
5.0
|
17.2
|
1.0
|
|
CD1
|
A:LEU57
|
5.0
|
14.2
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 7qdq
Go back to
Chlorine Binding Sites List in 7qdq
Chlorine binding site 10 out
of 11 in the Crystal Structure of HDM2 in Complex with Caylin-1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of HDM2 in Complex with Caylin-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:12.4
occ:0.54
|
CL3
|
A:AU0207
|
0.0
|
12.4
|
0.5
|
|
H19
|
A:AU0207
|
0.5
|
16.2
|
0.5
|
|
C21
|
A:AU0207
|
1.2
|
13.5
|
0.5
|
|
C23
|
A:AU0207
|
1.7
|
7.1
|
0.5
|
|
C22
|
A:AU0207
|
2.2
|
10.1
|
0.5
|
|
C20
|
A:AU0207
|
2.3
|
7.1
|
0.5
|
|
H18
|
A:AU0207
|
2.5
|
8.5
|
0.5
|
|
C24
|
A:AU0207
|
2.6
|
11.5
|
0.5
|
|
C22
|
A:AU0207
|
2.7
|
9.5
|
0.5
|
|
HE2
|
A:PHE91
|
2.7
|
14.5
|
1.0
|
|
H20
|
A:AU0207
|
2.7
|
13.8
|
0.5
|
|
HG12
|
A:VAL93
|
2.7
|
16.4
|
1.0
|
|
CL2
|
A:AU0207
|
2.9
|
13.0
|
0.5
|
|
HD13
|
A:ILE61
|
2.9
|
11.1
|
1.0
|
|
HG21
|
A:VAL75
|
3.0
|
13.9
|
1.0
|
|
CL2
|
A:AU0207
|
3.2
|
11.8
|
0.5
|
|
H8
|
A:AU0207
|
3.2
|
11.9
|
0.5
|
|
HD12
|
A:ILE61
|
3.2
|
11.1
|
1.0
|
|
H9
|
A:AU0207
|
3.4
|
12.4
|
0.5
|
|
CD1
|
A:ILE61
|
3.4
|
9.3
|
1.0
|
|
C23
|
A:AU0207
|
3.4
|
10.1
|
0.5
|
|
HZ
|
A:PHE91
|
3.5
|
14.2
|
1.0
|
|
CE2
|
A:PHE91
|
3.5
|
12.1
|
1.0
|
|
HG11
|
A:VAL93
|
3.5
|
16.4
|
1.0
|
|
CG1
|
A:VAL93
|
3.5
|
13.6
|
1.0
|
|
C19
|
A:AU0207
|
3.6
|
11.6
|
0.5
|
|
H11
|
A:AU0207
|
3.6
|
13.7
|
0.5
|
|
H13
|
A:AU0207
|
3.6
|
9.7
|
0.5
|
|
HD11
|
A:ILE61
|
3.6
|
11.1
|
1.0
|
|
CZ
|
A:PHE91
|
3.9
|
11.8
|
1.0
|
|
CG2
|
A:VAL75
|
3.9
|
11.6
|
1.0
|
|
HD13
|
A:ILE99
|
3.9
|
16.9
|
0.7
|
|
C24
|
A:AU0207
|
3.9
|
10.5
|
0.5
|
|
H17
|
A:AU0207
|
3.9
|
15.5
|
0.5
|
|
C19
|
A:AU0207
|
4.0
|
11.4
|
0.5
|
|
C21
|
A:AU0207
|
4.0
|
10.4
|
0.5
|
|
H15
|
A:AU0207
|
4.0
|
15.6
|
0.5
|
|
HG23
|
A:VAL75
|
4.0
|
13.9
|
1.0
|
|
C7
|
A:AU0207
|
4.1
|
9.9
|
0.5
|
|
HG13
|
A:VAL93
|
4.2
|
16.4
|
1.0
|
|
HA
|
A:VAL93
|
4.2
|
11.1
|
1.0
|
|
C7
|
A:AU0207
|
4.2
|
10.3
|
0.5
|
|
HA2
|
A:GLY58
|
4.2
|
11.7
|
1.0
|
|
HG22
|
A:VAL75
|
4.3
|
13.9
|
1.0
|
|
O1
|
A:AU0207
|
4.3
|
7.4
|
0.5
|
|
C8
|
A:AU0207
|
4.3
|
11.4
|
0.5
|
|
HB
|
A:VAL93
|
4.4
|
13.5
|
1.0
|
|
HG21
|
A:ILE61
|
4.4
|
12.1
|
1.0
|
|
C8
|
A:AU0207
|
4.4
|
8.1
|
0.5
|
|
HD11
|
A:ILE99
|
4.4
|
16.9
|
0.7
|
|
O1
|
A:AU0207
|
4.4
|
10.1
|
0.5
|
|
C20
|
A:AU0207
|
4.4
|
12.9
|
0.5
|
|
H10
|
A:AU0207
|
4.5
|
12.4
|
0.5
|
|
CB
|
A:VAL93
|
4.5
|
11.2
|
1.0
|
|
H13
|
A:AU0207
|
4.5
|
13.7
|
0.5
|
|
C6
|
A:AU0207
|
4.5
|
9.1
|
0.5
|
|
CL1
|
A:AU0207
|
4.5
|
17.2
|
0.5
|
|
HG21
|
A:ILE99
|
4.5
|
15.0
|
0.3
|
|
C17
|
A:AU0207
|
4.5
|
12.9
|
0.5
|
|
C6
|
A:AU0207
|
4.6
|
8.5
|
0.5
|
|
H10
|
A:AU0207
|
4.6
|
11.9
|
0.5
|
|
H9
|
A:AU0207
|
4.6
|
11.9
|
0.5
|
|
CD1
|
A:ILE99
|
4.6
|
14.1
|
0.7
|
|
HG13
|
A:ILE99
|
4.6
|
16.5
|
0.3
|
|
CD2
|
A:PHE91
|
4.7
|
10.3
|
1.0
|
|
C13
|
A:AU0207
|
4.7
|
13.0
|
0.5
|
|
H19
|
A:AU0207
|
4.7
|
12.5
|
0.5
|
|
HG11
|
A:VAL75
|
4.7
|
14.5
|
1.0
|
|
H12
|
A:AU0207
|
4.8
|
9.7
|
0.5
|
|
HD2
|
A:PHE91
|
4.8
|
12.4
|
1.0
|
|
HG21
|
A:ILE99
|
4.8
|
16.2
|
0.7
|
|
CG1
|
A:ILE61
|
4.8
|
9.8
|
1.0
|
|
CA
|
A:VAL93
|
4.8
|
9.3
|
1.0
|
|
H20
|
A:AU0207
|
4.9
|
12.6
|
0.5
|
|
C18
|
A:AU0207
|
4.9
|
11.5
|
0.5
|
|
CL3
|
A:AU0207
|
4.9
|
13.7
|
0.5
|
|
H8
|
A:AU0207
|
4.9
|
12.4
|
0.5
|
|
HB
|
A:ILE61
|
4.9
|
10.6
|
1.0
|
|
C16
|
A:AU0207
|
5.0
|
14.0
|
0.5
|
|
HG12
|
A:ILE99
|
5.0
|
18.6
|
0.7
|
|
Reference:
V.Mertens,
M.J.Abi Saad,
N.Coudevylle,
A.D.Finke,
M.E.Marsh,
J.Orts.
Elucidation of A Nutlin Derivative HDM2 Complex Structure at the Interaction Site By uc(Nmr) Molecular Replacement A Straightforward Derivation To Be Published.
Page generated: Tue Jul 30 03:11:39 2024
|
