Chlorine in PDB 5ncg: Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
Protein crystallography data
The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh, PDB code: 5ncg
was solved by
M.Barone,
Y.Roske,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
32.60 /
1.02
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
35.024,
61.266,
89.258,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
12.5 /
14.9
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
(pdb code 5ncg). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh, PDB code: 5ncg:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 1 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:8.2
occ:0.95
|
CL
|
A:8TB201
|
0.0
|
8.2
|
0.9
|
|
C15
|
A:8TB201
|
1.7
|
7.4
|
0.9
|
|
H2A
|
A:8TB201
|
2.7
|
10.1
|
0.9
|
|
HG12
|
A:VAL86
|
2.7
|
8.9
|
1.0
|
|
C19
|
A:8TB201
|
2.7
|
8.3
|
0.9
|
|
C14
|
A:8TB201
|
2.7
|
7.6
|
0.9
|
|
H19
|
A:8TB201
|
2.8
|
9.9
|
0.9
|
|
H30
|
A:8TB201
|
2.9
|
11.7
|
0.9
|
|
H12
|
A:8TB201
|
2.9
|
10.9
|
0.9
|
|
HG3
|
A:GLN79
|
3.0
|
8.3
|
1.0
|
|
C13
|
A:8TB201
|
3.1
|
8.4
|
0.9
|
|
HG3
|
A:ARG81
|
3.2
|
9.0
|
1.0
|
|
HA
|
A:TRP80
|
3.4
|
6.4
|
1.0
|
|
HG2
|
A:ARG81
|
3.5
|
9.0
|
1.0
|
|
C12
|
A:8TB201
|
3.5
|
9.1
|
0.9
|
|
CG1
|
A:VAL86
|
3.6
|
7.4
|
1.0
|
|
HB2
|
A:GLN79
|
3.6
|
8.1
|
1.0
|
|
HG11
|
A:VAL86
|
3.7
|
8.9
|
1.0
|
|
CG
|
A:GLN79
|
3.8
|
6.9
|
1.0
|
|
CG
|
A:ARG81
|
3.8
|
7.5
|
1.0
|
|
C
|
A:TRP80
|
3.8
|
5.5
|
1.0
|
|
CA
|
A:TRP80
|
3.9
|
5.3
|
1.0
|
|
C30
|
A:8TB201
|
4.0
|
9.8
|
0.9
|
|
HG13
|
A:VAL86
|
4.0
|
8.9
|
1.0
|
|
HE22
|
A:GLN79
|
4.0
|
10.3
|
1.0
|
|
C18
|
A:8TB201
|
4.0
|
8.8
|
0.9
|
|
C16
|
A:8TB201
|
4.0
|
7.9
|
0.9
|
|
CD
|
A:GLN79
|
4.0
|
8.2
|
1.0
|
|
N
|
A:TRP80
|
4.0
|
5.2
|
1.0
|
|
HG22
|
A:VAL86
|
4.0
|
9.3
|
1.0
|
|
N
|
A:ARG81
|
4.1
|
5.8
|
1.0
|
|
H13
|
A:8TB201
|
4.1
|
10.1
|
0.9
|
|
NE2
|
A:GLN79
|
4.1
|
8.6
|
1.0
|
|
O
|
A:TRP80
|
4.1
|
6.1
|
1.0
|
|
O5
|
A:8TB201
|
4.1
|
9.3
|
0.9
|
|
CB
|
A:GLN79
|
4.2
|
6.8
|
1.0
|
|
HG21
|
A:VAL86
|
4.2
|
9.3
|
1.0
|
|
H
|
A:ARG81
|
4.3
|
7.0
|
1.0
|
|
C
|
A:GLN79
|
4.3
|
5.5
|
1.0
|
|
H
|
A:TRP80
|
4.3
|
6.2
|
1.0
|
|
H36
|
A:8TB201
|
4.4
|
11.7
|
0.9
|
|
HA
|
A:ARG81
|
4.5
|
7.5
|
1.0
|
|
CG2
|
A:VAL86
|
4.5
|
7.7
|
1.0
|
|
N4
|
A:8TB201
|
4.5
|
9.1
|
0.9
|
|
C17
|
A:8TB201
|
4.5
|
8.6
|
0.9
|
|
O
|
A:GLN79
|
4.5
|
6.3
|
1.0
|
|
HB3
|
A:ASN71
|
4.5
|
8.4
|
1.0
|
|
HH21
|
A:ARG81
|
4.5
|
9.1
|
1.0
|
|
HE21
|
A:GLN79
|
4.6
|
10.3
|
1.0
|
|
HG2
|
A:GLN79
|
4.6
|
8.3
|
1.0
|
|
HD3
|
A:ARG81
|
4.6
|
9.4
|
1.0
|
|
OE1
|
A:GLN79
|
4.6
|
9.9
|
1.0
|
|
C11
|
A:8TB201
|
4.6
|
9.3
|
0.9
|
|
N5
|
A:8TB201
|
4.6
|
9.4
|
0.9
|
|
CB
|
A:VAL86
|
4.7
|
6.2
|
1.0
|
|
C32
|
A:8TB201
|
4.7
|
8.5
|
0.9
|
|
CA
|
A:ARG81
|
4.7
|
6.3
|
1.0
|
|
HB2
|
A:ASN71
|
4.7
|
8.4
|
1.0
|
|
CD
|
A:ARG81
|
4.8
|
7.8
|
1.0
|
|
CB
|
A:ARG81
|
4.8
|
7.1
|
1.0
|
|
H18
|
A:8TB201
|
4.8
|
10.6
|
0.9
|
|
H16
|
A:8TB201
|
4.9
|
9.5
|
0.9
|
|
H29
|
A:8TB201
|
4.9
|
15.4
|
0.9
|
|
CA
|
A:GLN79
|
4.9
|
5.7
|
1.0
|
|
C29
|
A:8TB201
|
5.0
|
12.8
|
0.9
|
|
HB3
|
A:GLN79
|
5.0
|
8.1
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 2 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:9.8
occ:0.29
|
CL
|
A:8TB202
|
0.0
|
9.8
|
0.3
|
|
H16
|
A:8TB202
|
1.3
|
9.4
|
0.7
|
|
C15
|
A:8TB202
|
1.7
|
11.1
|
0.3
|
|
C16
|
A:8TB202
|
2.3
|
7.8
|
0.7
|
|
C19
|
A:8TB202
|
2.7
|
11.6
|
0.3
|
|
H2A
|
A:8TB202
|
2.7
|
11.9
|
0.3
|
|
H19
|
A:8TB202
|
2.7
|
13.9
|
0.3
|
|
O4
|
A:8TB202
|
2.8
|
8.2
|
0.7
|
|
C14
|
A:8TB202
|
2.8
|
10.9
|
0.3
|
|
H2A
|
A:8TB202
|
2.9
|
7.7
|
0.7
|
|
H17
|
A:8TB202
|
3.1
|
10.4
|
0.7
|
|
H30
|
A:8TB202
|
3.1
|
10.6
|
0.7
|
|
C17
|
A:8TB202
|
3.1
|
8.7
|
0.7
|
|
C11
|
A:8TB202
|
3.1
|
6.2
|
0.7
|
|
C13
|
A:8TB202
|
3.2
|
9.9
|
0.3
|
|
C14
|
A:8TB202
|
3.3
|
7.1
|
0.7
|
|
O4
|
A:8TB202
|
3.3
|
8.1
|
0.3
|
|
C11
|
A:8TB202
|
3.4
|
8.2
|
0.3
|
|
H26
|
A:8TB202
|
3.4
|
12.3
|
0.3
|
|
C13
|
A:8TB202
|
3.5
|
6.4
|
0.7
|
|
N5
|
A:8TB202
|
3.5
|
5.4
|
0.7
|
|
H36
|
A:8TB202
|
3.6
|
10.3
|
0.3
|
|
C30
|
A:8TB202
|
3.7
|
8.8
|
0.7
|
|
N5
|
A:8TB202
|
3.8
|
8.2
|
0.3
|
|
H26
|
A:8TB202
|
3.9
|
7.2
|
0.7
|
|
C12
|
A:8TB202
|
3.9
|
8.3
|
0.3
|
|
C12
|
A:8TB202
|
3.9
|
5.0
|
0.7
|
|
C18
|
A:8TB202
|
4.0
|
11.2
|
0.3
|
|
C16
|
A:8TB202
|
4.0
|
11.3
|
0.3
|
|
H37
|
A:8TB202
|
4.1
|
11.5
|
0.3
|
|
H13
|
A:8TB202
|
4.1
|
11.9
|
0.3
|
|
C30
|
A:8TB202
|
4.2
|
8.6
|
0.3
|
|
H29
|
A:8TB202
|
4.2
|
14.2
|
0.7
|
|
C26
|
A:8TB202
|
4.3
|
10.3
|
0.3
|
|
C18
|
A:8TB202
|
4.4
|
8.5
|
0.7
|
|
H12
|
A:8TB202
|
4.4
|
10.0
|
0.3
|
|
H13
|
A:8TB202
|
4.5
|
7.7
|
0.7
|
|
C29
|
A:8TB202
|
4.5
|
11.8
|
0.7
|
|
C17
|
A:8TB202
|
4.5
|
11.4
|
0.3
|
|
HE3
|
A:MET1
|
4.5
|
18.5
|
1.0
|
|
C15
|
A:8TB202
|
4.5
|
7.0
|
0.7
|
|
H36
|
A:8TB202
|
4.6
|
10.6
|
0.7
|
|
C26
|
A:8TB202
|
4.6
|
6.0
|
0.7
|
|
H12
|
A:8TB202
|
4.6
|
6.0
|
0.7
|
|
C35
|
A:8TB202
|
4.7
|
5.3
|
0.7
|
|
C29
|
A:8TB202
|
4.7
|
9.6
|
0.3
|
|
C35
|
A:8TB202
|
4.8
|
9.0
|
0.3
|
|
H42
|
A:8TB202
|
4.8
|
7.8
|
0.7
|
|
H18
|
A:8TB202
|
4.8
|
13.4
|
0.3
|
|
N4
|
A:8TB202
|
4.9
|
6.5
|
0.7
|
|
H16
|
A:8TB202
|
4.9
|
13.5
|
0.3
|
|
C19
|
A:8TB202
|
5.0
|
8.0
|
0.7
|
|
Chlorine binding site 3 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 3 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:7.7
occ:0.70
|
CL
|
A:8TB202
|
0.0
|
7.7
|
0.7
|
|
H16
|
A:8TB202
|
1.1
|
13.5
|
0.3
|
|
C15
|
A:8TB202
|
1.7
|
7.0
|
0.7
|
|
C16
|
A:8TB202
|
2.0
|
11.3
|
0.3
|
|
H17
|
A:8TB202
|
2.5
|
13.7
|
0.3
|
|
H13
|
A:8TB202
|
2.6
|
7.7
|
0.7
|
|
C17
|
A:8TB202
|
2.6
|
11.4
|
0.3
|
|
C19
|
A:8TB202
|
2.7
|
8.0
|
0.7
|
|
C14
|
A:8TB202
|
2.7
|
7.1
|
0.7
|
|
H19
|
A:8TB202
|
2.8
|
9.6
|
0.7
|
|
H24
|
A:8TB202
|
2.9
|
8.1
|
0.7
|
|
H12
|
A:8TB202
|
3.0
|
6.0
|
0.7
|
|
H
|
A:SER5
|
3.0
|
7.6
|
1.0
|
|
H24
|
A:8TB202
|
3.0
|
13.6
|
0.3
|
|
HE1
|
A:TYR38
|
3.0
|
7.0
|
1.0
|
|
C13
|
A:8TB202
|
3.0
|
6.4
|
0.7
|
|
C14
|
A:8TB202
|
3.2
|
10.9
|
0.3
|
|
H13
|
A:8TB202
|
3.2
|
11.9
|
0.3
|
|
HA
|
A:GLN4
|
3.2
|
6.6
|
1.0
|
|
H12
|
A:8TB202
|
3.2
|
10.0
|
0.3
|
|
O5
|
A:8TB202
|
3.2
|
9.7
|
0.3
|
|
O
|
A:HOH325
|
3.3
|
14.2
|
1.0
|
|
H28
|
A:8TB202
|
3.5
|
8.2
|
0.7
|
|
C12
|
A:8TB202
|
3.5
|
5.0
|
0.7
|
|
O5
|
A:8TB202
|
3.6
|
6.0
|
0.7
|
|
C13
|
A:8TB202
|
3.6
|
9.9
|
0.3
|
|
H28
|
A:8TB202
|
3.6
|
11.3
|
0.3
|
|
N
|
A:SER5
|
3.7
|
6.4
|
1.0
|
|
C28
|
A:8TB202
|
3.7
|
6.8
|
0.7
|
|
C24
|
A:8TB202
|
3.7
|
6.8
|
0.7
|
|
O
|
A:GLU3
|
3.7
|
7.6
|
1.0
|
|
C24
|
A:8TB202
|
3.8
|
11.4
|
0.3
|
|
C12
|
A:8TB202
|
3.9
|
8.3
|
0.3
|
|
HB2
|
A:SER5
|
3.9
|
9.1
|
1.0
|
|
C28
|
A:8TB202
|
3.9
|
9.5
|
0.3
|
|
CE1
|
A:TYR38
|
3.9
|
5.9
|
1.0
|
|
C18
|
A:8TB202
|
4.0
|
11.2
|
0.3
|
|
C16
|
A:8TB202
|
4.0
|
7.8
|
0.7
|
|
C18
|
A:8TB202
|
4.0
|
8.5
|
0.7
|
|
H2A
|
A:8TB202
|
4.0
|
7.7
|
0.7
|
|
HD1
|
A:TYR38
|
4.1
|
7.2
|
1.0
|
|
CA
|
A:GLN4
|
4.1
|
5.5
|
1.0
|
|
C26
|
A:8TB202
|
4.1
|
6.0
|
0.7
|
|
H4A
|
A:8TB202
|
4.1
|
8.1
|
0.7
|
|
H4A
|
A:8TB202
|
4.2
|
13.6
|
0.3
|
|
HB3
|
A:SER5
|
4.2
|
9.1
|
1.0
|
|
H26
|
A:8TB202
|
4.2
|
7.2
|
0.7
|
|
C27
|
A:8TB202
|
4.2
|
6.5
|
0.7
|
|
C32
|
A:8TB202
|
4.2
|
9.8
|
0.3
|
|
C32
|
A:8TB202
|
4.2
|
7.5
|
0.7
|
|
N4
|
A:8TB202
|
4.3
|
6.5
|
0.7
|
|
C
|
A:GLN4
|
4.3
|
6.3
|
1.0
|
|
C27
|
A:8TB202
|
4.3
|
10.4
|
0.3
|
|
O3
|
A:NO3204
|
4.3
|
15.9
|
0.6
|
|
C15
|
A:8TB202
|
4.4
|
11.1
|
0.3
|
|
CB
|
A:SER5
|
4.4
|
7.5
|
1.0
|
|
C26
|
A:8TB202
|
4.4
|
10.3
|
0.3
|
|
CD1
|
A:TYR38
|
4.4
|
6.0
|
1.0
|
|
C17
|
A:8TB202
|
4.5
|
8.7
|
0.7
|
|
H10
|
A:8TB202
|
4.5
|
13.8
|
0.3
|
|
N4
|
A:8TB202
|
4.5
|
9.1
|
0.3
|
|
N3
|
A:8TB202
|
4.5
|
6.4
|
0.7
|
|
H26
|
A:8TB202
|
4.6
|
12.3
|
0.3
|
|
H2A
|
A:8TB202
|
4.6
|
11.9
|
0.3
|
|
C
|
A:GLU3
|
4.6
|
6.3
|
1.0
|
|
N3
|
A:8TB202
|
4.6
|
10.1
|
0.3
|
|
CA
|
A:SER5
|
4.6
|
7.0
|
1.0
|
|
OE1
|
A:GLN4
|
4.6
|
6.2
|
1.0
|
|
C19
|
A:8TB202
|
4.7
|
11.6
|
0.3
|
|
H10
|
A:8TB202
|
4.7
|
8.4
|
0.7
|
|
H18
|
A:8TB202
|
4.7
|
13.4
|
0.3
|
|
N
|
A:GLN4
|
4.8
|
5.7
|
1.0
|
|
C11
|
A:8TB202
|
4.8
|
6.2
|
0.7
|
|
C31
|
A:8TB202
|
4.8
|
5.1
|
0.7
|
|
H16
|
A:8TB202
|
4.8
|
9.4
|
0.7
|
|
H18
|
A:8TB202
|
4.8
|
10.2
|
0.7
|
|
C9
|
A:8TB202
|
4.9
|
7.0
|
0.7
|
|
C35
|
A:8TB202
|
4.9
|
5.3
|
0.7
|
|
CD
|
A:GLN4
|
4.9
|
5.9
|
1.0
|
|
CZ
|
A:TYR38
|
5.0
|
6.2
|
1.0
|
|
C10
|
A:8TB202
|
5.0
|
11.5
|
0.3
|
|
Chlorine binding site 4 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 4 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:7.4
occ:0.76
|
CL
|
A:8TB203
|
0.0
|
7.4
|
0.8
|
|
C15
|
A:8TB203
|
1.7
|
7.4
|
0.8
|
|
C19
|
A:8TB203
|
2.7
|
8.1
|
0.8
|
|
H13
|
A:8TB203
|
2.7
|
8.8
|
0.8
|
|
C14
|
A:8TB203
|
2.7
|
6.7
|
0.8
|
|
H19
|
A:8TB203
|
2.8
|
9.8
|
0.8
|
|
H12
|
A:8TB203
|
2.9
|
8.3
|
0.8
|
|
C13
|
A:8TB203
|
3.1
|
7.4
|
0.8
|
|
HE21
|
A:GLN85
|
3.2
|
15.4
|
1.0
|
|
NE2
|
A:GLN85
|
3.3
|
12.8
|
1.0
|
|
HB3
|
A:ARG84
|
3.3
|
9.9
|
1.0
|
|
H30
|
A:8TB203
|
3.4
|
11.3
|
0.8
|
|
H36
|
A:8TB203
|
3.4
|
11.3
|
0.8
|
|
C12
|
A:8TB203
|
3.5
|
6.9
|
0.8
|
|
HE22
|
A:GLN85
|
3.6
|
15.4
|
1.0
|
|
CD
|
A:GLN85
|
3.6
|
10.5
|
1.0
|
|
O
|
A:HOH414
|
3.7
|
16.6
|
0.9
|
|
C30
|
A:8TB203
|
3.8
|
9.4
|
0.8
|
|
OE1
|
A:GLN85
|
3.8
|
13.4
|
1.0
|
|
HD2
|
A:ARG84
|
3.9
|
12.5
|
1.0
|
|
C18
|
A:8TB203
|
3.9
|
7.6
|
0.8
|
|
O
|
A:HOH304
|
4.0
|
7.5
|
0.6
|
|
HG2
|
A:GLN85
|
4.0
|
11.9
|
1.0
|
|
C16
|
A:8TB203
|
4.0
|
8.2
|
0.8
|
|
HB2
|
A:ARG84
|
4.0
|
9.9
|
1.0
|
|
H2A
|
A:8TB203
|
4.1
|
8.8
|
0.8
|
|
CB
|
A:ARG84
|
4.1
|
8.2
|
1.0
|
|
CG
|
A:GLN85
|
4.4
|
9.9
|
1.0
|
|
C17
|
A:8TB203
|
4.5
|
9.5
|
0.8
|
|
N4
|
A:8TB203
|
4.5
|
8.6
|
0.8
|
|
N5
|
A:8TB203
|
4.6
|
7.3
|
0.8
|
|
C11
|
A:8TB203
|
4.6
|
6.5
|
0.8
|
|
O
|
A:HOH371
|
4.6
|
16.2
|
0.8
|
|
HG2
|
A:ARG84
|
4.6
|
10.6
|
1.0
|
|
CD
|
A:ARG84
|
4.7
|
10.4
|
1.0
|
|
CG
|
A:ARG84
|
4.7
|
8.8
|
1.0
|
|
HB3
|
A:GLN85
|
4.8
|
9.4
|
1.0
|
|
H18
|
A:8TB203
|
4.8
|
9.1
|
0.8
|
|
HH
|
A:TYR87
|
4.8
|
13.2
|
1.0
|
|
H16
|
A:8TB203
|
4.9
|
9.8
|
0.8
|
|
O5
|
A:8TB203
|
4.9
|
13.8
|
0.8
|
|
Chlorine binding site 5 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 5 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:9.8
occ:0.54
|
CL
|
B:8TB201
|
0.0
|
9.8
|
0.5
|
|
CL
|
B:8TB201
|
0.4
|
6.8
|
0.5
|
|
C15
|
B:8TB201
|
1.4
|
6.9
|
0.5
|
|
C15
|
B:8TB201
|
1.7
|
8.1
|
0.5
|
|
C14
|
B:8TB201
|
2.3
|
7.3
|
0.5
|
|
H2A
|
B:8TB201
|
2.3
|
8.1
|
0.5
|
|
C19
|
B:8TB201
|
2.5
|
6.5
|
0.5
|
|
H2A
|
B:8TB201
|
2.6
|
9.9
|
0.5
|
|
C13
|
B:8TB201
|
2.6
|
6.7
|
0.5
|
|
C19
|
B:8TB201
|
2.7
|
8.8
|
0.5
|
|
H12
|
B:8TB201
|
2.7
|
8.2
|
0.5
|
|
C14
|
B:8TB201
|
2.7
|
8.0
|
0.5
|
|
H19
|
B:8TB201
|
2.8
|
7.8
|
0.5
|
|
H19
|
B:8TB201
|
2.8
|
10.6
|
0.5
|
|
H36
|
B:8TB201
|
2.9
|
8.9
|
0.5
|
|
HG3
|
B:GLN79
|
3.0
|
8.5
|
1.0
|
|
H36
|
B:8TB201
|
3.1
|
14.3
|
0.5
|
|
C13
|
B:8TB201
|
3.1
|
8.2
|
0.5
|
|
HG13
|
B:VAL86
|
3.1
|
8.8
|
1.0
|
|
H12
|
B:8TB201
|
3.1
|
9.9
|
0.5
|
|
C12
|
B:8TB201
|
3.2
|
6.8
|
0.5
|
|
HG2
|
B:ARG81
|
3.3
|
9.7
|
0.6
|
|
HG11
|
B:VAL86
|
3.3
|
8.8
|
1.0
|
|
HG3
|
B:ARG81
|
3.3
|
6.0
|
0.5
|
|
HG3
|
B:ARG81
|
3.4
|
9.7
|
0.6
|
|
HG23
|
B:VAL86
|
3.6
|
8.9
|
1.0
|
|
C16
|
B:8TB201
|
3.6
|
6.8
|
0.5
|
|
C12
|
B:8TB201
|
3.6
|
8.3
|
0.5
|
|
CG1
|
B:VAL86
|
3.7
|
7.3
|
1.0
|
|
H13
|
B:8TB201
|
3.7
|
8.1
|
0.5
|
|
HG2
|
B:ARG81
|
3.7
|
6.0
|
0.5
|
|
HE
|
B:ARG81
|
3.7
|
12.9
|
0.6
|
|
HB2
|
B:GLN79
|
3.7
|
7.7
|
1.0
|
|
C18
|
B:8TB201
|
3.7
|
7.4
|
0.5
|
|
HA
|
B:TRP80
|
3.7
|
5.9
|
1.0
|
|
CG
|
B:GLN79
|
3.8
|
7.1
|
1.0
|
|
CG
|
B:ARG81
|
3.8
|
8.1
|
0.6
|
|
C30
|
B:8TB201
|
3.9
|
7.4
|
0.5
|
|
HE21
|
B:GLN79
|
3.9
|
9.6
|
1.0
|
|
CD
|
B:GLN79
|
3.9
|
7.8
|
1.0
|
|
CG
|
B:ARG81
|
4.0
|
5.0
|
0.5
|
|
O5
|
B:8TB201
|
4.0
|
7.7
|
0.5
|
|
C18
|
B:8TB201
|
4.0
|
8.8
|
0.5
|
|
NE2
|
B:GLN79
|
4.0
|
8.0
|
1.0
|
|
C16
|
B:8TB201
|
4.0
|
8.2
|
0.5
|
|
C30
|
B:8TB201
|
4.1
|
11.9
|
0.5
|
|
NE
|
B:ARG81
|
4.1
|
10.8
|
0.6
|
|
H13
|
B:8TB201
|
4.1
|
9.9
|
0.5
|
|
C17
|
B:8TB201
|
4.1
|
7.0
|
0.5
|
|
N4
|
B:8TB201
|
4.2
|
6.7
|
0.5
|
|
C
|
B:TRP80
|
4.2
|
5.1
|
1.0
|
|
CA
|
B:TRP80
|
4.3
|
4.9
|
1.0
|
|
CB
|
B:GLN79
|
4.3
|
6.4
|
1.0
|
|
HG12
|
B:VAL86
|
4.3
|
8.8
|
1.0
|
|
N
|
B:TRP80
|
4.3
|
4.7
|
1.0
|
|
C11
|
B:8TB201
|
4.3
|
7.7
|
0.5
|
|
N
|
B:ARG81
|
4.4
|
5.7
|
0.5
|
|
C32
|
B:8TB201
|
4.4
|
7.3
|
0.5
|
|
HB3
|
B:ASN71
|
4.4
|
7.2
|
1.0
|
|
H16
|
B:8TB201
|
4.4
|
8.1
|
0.5
|
|
HH11
|
B:ARG81
|
4.5
|
3.7
|
0.5
|
|
HE22
|
B:GLN79
|
4.5
|
9.6
|
1.0
|
|
OE1
|
B:GLN79
|
4.5
|
9.6
|
1.0
|
|
H30
|
B:8TB201
|
4.5
|
8.9
|
0.5
|
|
N5
|
B:8TB201
|
4.5
|
7.9
|
0.5
|
|
C
|
B:GLN79
|
4.5
|
4.8
|
1.0
|
|
CG2
|
B:VAL86
|
4.5
|
7.4
|
1.0
|
|
O
|
B:TRP80
|
4.5
|
5.3
|
1.0
|
|
CZ
|
B:ARG81
|
4.5
|
13.2
|
0.6
|
|
C17
|
B:8TB201
|
4.5
|
8.9
|
0.5
|
|
N
|
B:ARG81
|
4.5
|
5.9
|
0.6
|
|
CD
|
B:ARG81
|
4.5
|
9.4
|
0.6
|
|
H
|
B:ARG81
|
4.5
|
6.8
|
0.5
|
|
HD3
|
B:ARG81
|
4.6
|
7.6
|
0.5
|
|
O
|
B:HOH303
|
4.6
|
18.5
|
0.9
|
|
H
|
B:TRP80
|
4.6
|
5.6
|
1.0
|
|
HG2
|
B:GLN79
|
4.6
|
8.5
|
1.0
|
|
H30
|
B:8TB201
|
4.6
|
14.3
|
0.5
|
|
C11
|
B:8TB201
|
4.6
|
8.9
|
0.5
|
|
HB2
|
B:ASN71
|
4.6
|
7.2
|
1.0
|
|
O
|
B:GLN79
|
4.7
|
6.2
|
1.0
|
|
H18
|
B:8TB201
|
4.7
|
8.9
|
0.5
|
|
NH2
|
B:ARG81
|
4.7
|
18.2
|
0.6
|
|
N5
|
B:8TB201
|
4.7
|
11.2
|
0.5
|
|
CB
|
B:VAL86
|
4.7
|
6.7
|
1.0
|
|
N4
|
B:8TB201
|
4.8
|
7.5
|
0.5
|
|
H29
|
B:8TB201
|
4.8
|
9.6
|
0.5
|
|
H
|
B:ARG81
|
4.8
|
7.1
|
0.6
|
|
HA
|
B:ARG81
|
4.8
|
6.5
|
0.5
|
|
HA
|
B:ARG81
|
4.8
|
7.4
|
0.6
|
|
H18
|
B:8TB201
|
4.9
|
10.5
|
0.5
|
|
CD
|
B:ARG81
|
4.9
|
6.3
|
0.5
|
|
H16
|
B:8TB201
|
4.9
|
9.9
|
0.5
|
|
C29
|
B:8TB201
|
4.9
|
8.0
|
0.5
|
|
H29
|
B:8TB201
|
4.9
|
16.1
|
0.5
|
|
HD3
|
B:ARG81
|
4.9
|
11.3
|
0.6
|
|
HG21
|
B:VAL86
|
5.0
|
8.9
|
1.0
|
|
NH1
|
B:ARG81
|
5.0
|
3.1
|
0.5
|
|
HD22
|
B:ASN71
|
5.0
|
8.8
|
1.0
|
|
H42
|
B:8TB201
|
5.0
|
8.0
|
0.5
|
|
CA
|
B:ARG81
|
5.0
|
5.4
|
0.5
|
|
Chlorine binding site 6 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 6 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:6.8
occ:0.46
|
CL
|
B:8TB201
|
0.0
|
6.8
|
0.5
|
|
CL
|
B:8TB201
|
0.4
|
9.8
|
0.5
|
|
C15
|
B:8TB201
|
1.7
|
6.9
|
0.5
|
|
C15
|
B:8TB201
|
2.1
|
8.1
|
0.5
|
|
H2A
|
B:8TB201
|
2.6
|
8.1
|
0.5
|
|
C19
|
B:8TB201
|
2.6
|
6.5
|
0.5
|
|
C14
|
B:8TB201
|
2.7
|
7.3
|
0.5
|
|
HG13
|
B:VAL86
|
2.7
|
8.8
|
1.0
|
|
H19
|
B:8TB201
|
2.8
|
7.8
|
0.5
|
|
H19
|
B:8TB201
|
2.9
|
10.6
|
0.5
|
|
C19
|
B:8TB201
|
2.9
|
8.8
|
0.5
|
|
H2A
|
B:8TB201
|
2.9
|
9.9
|
0.5
|
|
H36
|
B:8TB201
|
3.0
|
8.9
|
0.5
|
|
H12
|
B:8TB201
|
3.0
|
8.2
|
0.5
|
|
HG3
|
B:GLN79
|
3.0
|
8.5
|
1.0
|
|
C13
|
B:8TB201
|
3.0
|
6.7
|
0.5
|
|
HG2
|
B:ARG81
|
3.1
|
9.7
|
0.6
|
|
HG11
|
B:VAL86
|
3.1
|
8.8
|
1.0
|
|
C14
|
B:8TB201
|
3.1
|
8.0
|
0.5
|
|
HG3
|
B:ARG81
|
3.2
|
6.0
|
0.5
|
|
H36
|
B:8TB201
|
3.2
|
14.3
|
0.5
|
|
HG3
|
B:ARG81
|
3.3
|
9.7
|
0.6
|
|
CG1
|
B:VAL86
|
3.4
|
7.3
|
1.0
|
|
HG23
|
B:VAL86
|
3.4
|
8.9
|
1.0
|
|
H12
|
B:8TB201
|
3.5
|
9.9
|
0.5
|
|
C13
|
B:8TB201
|
3.5
|
8.2
|
0.5
|
|
HA
|
B:TRP80
|
3.5
|
5.9
|
1.0
|
|
HB2
|
B:GLN79
|
3.5
|
7.7
|
1.0
|
|
HG2
|
B:ARG81
|
3.5
|
6.0
|
0.5
|
|
C12
|
B:8TB201
|
3.6
|
6.8
|
0.5
|
|
CG
|
B:ARG81
|
3.6
|
8.1
|
0.6
|
|
CG
|
B:GLN79
|
3.8
|
7.1
|
1.0
|
|
CG
|
B:ARG81
|
3.8
|
5.0
|
0.5
|
|
C
|
B:TRP80
|
3.8
|
5.1
|
1.0
|
|
HE
|
B:ARG81
|
3.8
|
12.9
|
0.6
|
|
HE21
|
B:GLN79
|
3.9
|
9.6
|
1.0
|
|
C18
|
B:8TB201
|
3.9
|
7.4
|
0.5
|
|
CA
|
B:TRP80
|
3.9
|
4.9
|
1.0
|
|
C16
|
B:8TB201
|
4.0
|
6.8
|
0.5
|
|
N
|
B:TRP80
|
4.0
|
4.7
|
1.0
|
|
C30
|
B:8TB201
|
4.0
|
7.4
|
0.5
|
|
HG12
|
B:VAL86
|
4.0
|
8.8
|
1.0
|
|
C12
|
B:8TB201
|
4.0
|
8.3
|
0.5
|
|
CD
|
B:GLN79
|
4.0
|
7.8
|
1.0
|
|
H13
|
B:8TB201
|
4.1
|
8.1
|
0.5
|
|
N
|
B:ARG81
|
4.1
|
5.7
|
0.5
|
|
NE2
|
B:GLN79
|
4.1
|
8.0
|
1.0
|
|
O
|
B:TRP80
|
4.1
|
5.3
|
1.0
|
|
CB
|
B:GLN79
|
4.1
|
6.4
|
1.0
|
|
NE
|
B:ARG81
|
4.2
|
10.8
|
0.6
|
|
N
|
B:ARG81
|
4.2
|
5.9
|
0.6
|
|
C30
|
B:8TB201
|
4.2
|
11.9
|
0.5
|
|
O5
|
B:8TB201
|
4.2
|
7.7
|
0.5
|
|
H
|
B:TRP80
|
4.2
|
5.6
|
1.0
|
|
C
|
B:GLN79
|
4.2
|
4.8
|
1.0
|
|
C18
|
B:8TB201
|
4.2
|
8.8
|
0.5
|
|
H
|
B:ARG81
|
4.2
|
6.8
|
0.5
|
|
CG2
|
B:VAL86
|
4.3
|
7.4
|
1.0
|
|
C16
|
B:8TB201
|
4.4
|
8.2
|
0.5
|
|
CB
|
B:VAL86
|
4.4
|
6.7
|
1.0
|
|
C17
|
B:8TB201
|
4.4
|
7.0
|
0.5
|
|
H13
|
B:8TB201
|
4.4
|
9.9
|
0.5
|
|
HA
|
B:ARG81
|
4.5
|
6.5
|
0.5
|
|
HA
|
B:ARG81
|
4.5
|
7.4
|
0.6
|
|
H
|
B:ARG81
|
4.5
|
7.1
|
0.6
|
|
CD
|
B:ARG81
|
4.5
|
9.4
|
0.6
|
|
O
|
B:GLN79
|
4.5
|
6.2
|
1.0
|
|
H30
|
B:8TB201
|
4.5
|
8.9
|
0.5
|
|
N4
|
B:8TB201
|
4.6
|
6.7
|
0.5
|
|
HE22
|
B:GLN79
|
4.6
|
9.6
|
1.0
|
|
HB3
|
B:ASN71
|
4.6
|
7.2
|
1.0
|
|
HD3
|
B:ARG81
|
4.6
|
7.6
|
0.5
|
|
HG2
|
B:GLN79
|
4.6
|
8.5
|
1.0
|
|
HH11
|
B:ARG81
|
4.6
|
3.7
|
0.5
|
|
C11
|
B:8TB201
|
4.6
|
7.7
|
0.5
|
|
CZ
|
B:ARG81
|
4.6
|
13.2
|
0.6
|
|
CA
|
B:ARG81
|
4.7
|
5.4
|
0.5
|
|
OE1
|
B:GLN79
|
4.7
|
9.6
|
1.0
|
|
N5
|
B:8TB201
|
4.7
|
7.9
|
0.5
|
|
CA
|
B:ARG81
|
4.7
|
6.2
|
0.6
|
|
O
|
B:HOH303
|
4.7
|
18.5
|
0.9
|
|
HG21
|
B:VAL86
|
4.7
|
8.9
|
1.0
|
|
H30
|
B:8TB201
|
4.7
|
14.3
|
0.5
|
|
C32
|
B:8TB201
|
4.8
|
7.3
|
0.5
|
|
CB
|
B:ARG81
|
4.8
|
7.0
|
0.6
|
|
H18
|
B:8TB201
|
4.8
|
8.9
|
0.5
|
|
CB
|
B:ARG81
|
4.8
|
4.8
|
0.5
|
|
H29
|
B:8TB201
|
4.8
|
9.6
|
0.5
|
|
CD
|
B:ARG81
|
4.8
|
6.3
|
0.5
|
|
HB2
|
B:ASN71
|
4.8
|
7.2
|
1.0
|
|
C17
|
B:8TB201
|
4.8
|
8.9
|
0.5
|
|
H16
|
B:8TB201
|
4.8
|
8.1
|
0.5
|
|
CA
|
B:GLN79
|
4.8
|
4.8
|
1.0
|
|
HD3
|
B:ARG81
|
4.9
|
11.3
|
0.6
|
|
HG22
|
B:VAL86
|
4.9
|
8.9
|
1.0
|
|
NH2
|
B:ARG81
|
4.9
|
18.2
|
0.6
|
|
N5
|
B:8TB201
|
4.9
|
11.2
|
0.5
|
|
HA
|
B:VAL86
|
4.9
|
6.8
|
1.0
|
|
C29
|
B:8TB201
|
4.9
|
8.0
|
0.5
|
|
HB3
|
B:GLN79
|
4.9
|
7.7
|
1.0
|
|
C11
|
B:8TB201
|
4.9
|
8.9
|
0.5
|
|
H29
|
B:8TB201
|
5.0
|
16.1
|
0.5
|
|
Chlorine binding site 7 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 7 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:9.2
occ:0.57
|
CL
|
B:8TB202
|
0.0
|
9.2
|
0.6
|
|
C15
|
B:8TB202
|
1.7
|
8.3
|
0.6
|
|
H2A
|
B:8TB202
|
2.3
|
10.0
|
0.4
|
|
H13
|
B:8TB202
|
2.6
|
11.9
|
0.6
|
|
C19
|
B:8TB202
|
2.7
|
9.1
|
0.6
|
|
C14
|
B:8TB202
|
2.7
|
9.8
|
0.6
|
|
H19
|
B:8TB202
|
2.8
|
10.9
|
0.6
|
|
H24
|
B:8TB202
|
2.9
|
10.3
|
0.6
|
|
H24
|
B:8TB202
|
3.0
|
13.4
|
0.4
|
|
HE1
|
B:TYR38
|
3.0
|
8.1
|
1.0
|
|
H12
|
B:8TB202
|
3.0
|
12.3
|
0.6
|
|
C13
|
B:8TB202
|
3.0
|
9.9
|
0.6
|
|
H
|
B:SER5
|
3.1
|
8.5
|
1.0
|
|
H12
|
B:8TB202
|
3.1
|
8.6
|
0.4
|
|
C13
|
B:8TB202
|
3.2
|
8.3
|
0.4
|
|
HA
|
B:GLN4
|
3.3
|
9.0
|
1.0
|
|
O
|
B:HOH320
|
3.4
|
19.1
|
1.0
|
|
H28
|
B:8TB202
|
3.4
|
12.1
|
0.6
|
|
O5
|
B:8TB202
|
3.5
|
11.3
|
0.6
|
|
H13
|
B:8TB202
|
3.5
|
10.0
|
0.4
|
|
C12
|
B:8TB202
|
3.5
|
10.3
|
0.6
|
|
O5
|
B:8TB202
|
3.5
|
7.6
|
0.4
|
|
C12
|
B:8TB202
|
3.6
|
7.2
|
0.4
|
|
C28
|
B:8TB202
|
3.7
|
10.1
|
0.6
|
|
H28
|
B:8TB202
|
3.7
|
9.7
|
0.4
|
|
C24
|
B:8TB202
|
3.7
|
8.6
|
0.6
|
|
N
|
B:SER5
|
3.8
|
7.1
|
1.0
|
|
C24
|
B:8TB202
|
3.8
|
11.2
|
0.4
|
|
C28
|
B:8TB202
|
3.8
|
8.1
|
0.4
|
|
HB2
|
B:SER5
|
3.9
|
10.4
|
1.0
|
|
CE1
|
B:TYR38
|
3.9
|
6.8
|
1.0
|
|
O
|
B:GLU3
|
3.9
|
9.5
|
1.0
|
|
C18
|
B:8TB202
|
4.0
|
10.5
|
0.6
|
|
C16
|
B:8TB202
|
4.0
|
10.3
|
0.6
|
|
C26
|
B:8TB202
|
4.0
|
10.5
|
0.6
|
|
H16
|
B:8TB202
|
4.0
|
13.9
|
0.4
|
|
C32
|
B:8TB202
|
4.0
|
7.9
|
0.4
|
|
HD1
|
B:TYR38
|
4.0
|
7.9
|
1.0
|
|
H2A
|
B:8TB202
|
4.0
|
11.9
|
0.6
|
|
H26
|
B:8TB202
|
4.1
|
12.6
|
0.6
|
|
N4
|
B:8TB202
|
4.1
|
7.4
|
0.4
|
|
H4A
|
B:8TB202
|
4.1
|
10.3
|
0.6
|
|
HB3
|
B:SER5
|
4.2
|
10.4
|
1.0
|
|
H4A
|
B:8TB202
|
4.2
|
13.4
|
0.4
|
|
CA
|
B:GLN4
|
4.2
|
7.5
|
1.0
|
|
C27
|
B:8TB202
|
4.2
|
9.5
|
0.6
|
|
C32
|
B:8TB202
|
4.3
|
10.3
|
0.6
|
|
C27
|
B:8TB202
|
4.3
|
10.3
|
0.4
|
|
C14
|
B:8TB202
|
4.3
|
9.1
|
0.4
|
|
C26
|
B:8TB202
|
4.3
|
8.0
|
0.4
|
|
H10
|
B:8TB202
|
4.3
|
11.2
|
0.4
|
|
N4
|
B:8TB202
|
4.3
|
10.2
|
0.6
|
|
CB
|
B:SER5
|
4.4
|
8.6
|
1.0
|
|
C
|
B:GLN4
|
4.4
|
8.1
|
1.0
|
|
CD1
|
B:TYR38
|
4.4
|
6.6
|
1.0
|
|
C17
|
B:8TB202
|
4.5
|
10.8
|
0.6
|
|
H26
|
B:8TB202
|
4.5
|
9.5
|
0.4
|
|
N3
|
B:8TB202
|
4.5
|
9.0
|
0.4
|
|
N3
|
B:8TB202
|
4.6
|
9.5
|
0.6
|
|
C16
|
B:8TB202
|
4.6
|
11.6
|
0.4
|
|
CA
|
B:SER5
|
4.7
|
7.8
|
1.0
|
|
OE1
|
B:GLN4
|
4.7
|
7.3
|
1.0
|
|
C11
|
B:8TB202
|
4.8
|
11.0
|
0.6
|
|
C
|
B:GLU3
|
4.8
|
8.2
|
1.0
|
|
H10
|
B:8TB202
|
4.8
|
11.0
|
0.6
|
|
H18
|
B:8TB202
|
4.8
|
12.6
|
0.6
|
|
C31
|
B:8TB202
|
4.8
|
9.4
|
0.6
|
|
H42
|
B:8TB202
|
4.9
|
8.9
|
0.4
|
|
C35
|
B:8TB202
|
4.9
|
10.7
|
0.6
|
|
C31
|
B:8TB202
|
4.9
|
7.3
|
0.4
|
|
C10
|
B:8TB202
|
4.9
|
9.3
|
0.4
|
|
H16
|
B:8TB202
|
4.9
|
12.3
|
0.6
|
|
N
|
B:GLN4
|
4.9
|
7.8
|
1.0
|
|
C9
|
B:8TB202
|
4.9
|
7.9
|
0.6
|
|
CZ
|
B:TYR38
|
4.9
|
7.6
|
1.0
|
|
C9
|
B:8TB202
|
5.0
|
12.4
|
0.4
|
|
CD
|
B:GLN4
|
5.0
|
6.5
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 5ncg
Go back to
Chlorine Binding Sites List in 5ncg
Chlorine binding site 8 out
of 8 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh
 Mono view
 Stereo pair view
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|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-9]-Oh within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:13.1
occ:0.43
|
CL
|
B:8TB202
|
0.0
|
13.1
|
0.4
|
|
H16
|
B:8TB202
|
1.3
|
12.3
|
0.6
|
|
C15
|
B:8TB202
|
1.6
|
11.0
|
0.4
|
|
C16
|
B:8TB202
|
2.3
|
10.3
|
0.6
|
|
C19
|
B:8TB202
|
2.6
|
11.5
|
0.4
|
|
H13
|
B:8TB202
|
2.6
|
10.0
|
0.4
|
|
C14
|
B:8TB202
|
2.6
|
9.1
|
0.4
|
|
O4
|
B:8TB202
|
2.7
|
13.3
|
0.6
|
|
H19
|
B:8TB202
|
2.7
|
13.8
|
0.4
|
|
H17
|
B:8TB202
|
3.0
|
13.0
|
0.6
|
|
C13
|
B:8TB202
|
3.0
|
8.3
|
0.4
|
|
C17
|
B:8TB202
|
3.1
|
10.8
|
0.6
|
|
C11
|
B:8TB202
|
3.1
|
11.0
|
0.6
|
|
H2A
|
B:8TB202
|
3.1
|
11.9
|
0.6
|
|
O4
|
B:8TB202
|
3.2
|
7.7
|
0.4
|
|
C11
|
B:8TB202
|
3.3
|
6.0
|
0.4
|
|
H36
|
B:8TB202
|
3.3
|
14.8
|
0.6
|
|
C14
|
B:8TB202
|
3.3
|
9.8
|
0.6
|
|
H26
|
B:8TB202
|
3.4
|
9.5
|
0.4
|
|
N5
|
B:8TB202
|
3.5
|
10.5
|
0.6
|
|
H36
|
B:8TB202
|
3.5
|
10.5
|
0.4
|
|
C13
|
B:8TB202
|
3.6
|
9.9
|
0.6
|
|
N5
|
B:8TB202
|
3.6
|
7.1
|
0.4
|
|
C30
|
B:8TB202
|
3.7
|
12.4
|
0.6
|
|
H30
|
B:8TB202
|
3.7
|
14.8
|
0.6
|
|
C12
|
B:8TB202
|
3.8
|
7.2
|
0.4
|
|
C18
|
B:8TB202
|
3.9
|
12.6
|
0.4
|
|
C16
|
B:8TB202
|
3.9
|
11.6
|
0.4
|
|
HE1
|
B:MET1
|
3.9
|
22.2
|
1.0
|
|
C12
|
B:8TB202
|
3.9
|
10.3
|
0.6
|
|
H26
|
B:8TB202
|
4.0
|
12.6
|
0.6
|
|
H2A
|
B:8TB202
|
4.0
|
10.0
|
0.4
|
|
H29
|
B:8TB202
|
4.0
|
10.8
|
0.4
|
|
C30
|
B:8TB202
|
4.0
|
8.8
|
0.4
|
|
C26
|
B:8TB202
|
4.3
|
8.0
|
0.4
|
|
C17
|
B:8TB202
|
4.4
|
12.7
|
0.4
|
|
C18
|
B:8TB202
|
4.4
|
10.5
|
0.6
|
|
H12
|
B:8TB202
|
4.5
|
8.6
|
0.4
|
|
C29
|
B:8TB202
|
4.5
|
9.0
|
0.4
|
|
C35
|
B:8TB202
|
4.6
|
7.2
|
0.4
|
|
C15
|
B:8TB202
|
4.6
|
8.3
|
0.6
|
|
H13
|
B:8TB202
|
4.6
|
11.9
|
0.6
|
|
H12
|
B:8TB202
|
4.6
|
12.3
|
0.6
|
|
C35
|
B:8TB202
|
4.7
|
10.7
|
0.6
|
|
C26
|
B:8TB202
|
4.7
|
10.5
|
0.6
|
|
H42
|
B:8TB202
|
4.7
|
8.9
|
0.4
|
|
H18
|
B:8TB202
|
4.7
|
15.2
|
0.4
|
|
H16
|
B:8TB202
|
4.8
|
13.9
|
0.4
|
|
N4
|
B:8TB202
|
4.8
|
7.4
|
0.4
|
|
CE
|
B:MET1
|
4.8
|
18.5
|
1.0
|
|
H38
|
B:8TB202
|
4.8
|
12.7
|
0.6
|
|
H42
|
B:8TB202
|
4.9
|
12.2
|
0.6
|
|
N4
|
B:8TB202
|
4.9
|
10.2
|
0.6
|
|
Reference:
M.Barone,
M.Muller,
R.Opitz,
Y.Roske,
A.Soicke,
S.Chiha,
S.Klein,
H.G.Schmalz,
R.Kuhne.
Ena/Vasp As Possible Antimetastatic Target Addressed By Structure-Optimized Prom Scaffolds To Be Published.
Page generated: Fri Jul 26 13:25:59 2024
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