Chlorine in PDB 5n12: Crystal Structure of Tce Treated Rppep-1
Enzymatic activity of Crystal Structure of Tce Treated Rppep-1
All present enzymatic activity of Crystal Structure of Tce Treated Rppep-1:
3.4.24.89;
Protein crystallography data
The structure of Crystal Structure of Tce Treated Rppep-1, PDB code: 5n12
was solved by
C.Pichlo,
M.Schacherl,
U.Baumann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.53 /
1.38
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.169,
71.769,
117.798,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16.4 /
18.4
|
Other elements in 5n12:
The structure of Crystal Structure of Tce Treated Rppep-1 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Tce Treated Rppep-1
(pdb code 5n12). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of Tce Treated Rppep-1, PDB code: 5n12:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 1 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:20.2
occ:0.80
|
CL1
|
A:8FH302
|
0.0
|
20.2
|
0.8
|
|
C03
|
A:8FH302
|
1.8
|
20.0
|
0.8
|
|
C02
|
A:8FH302
|
2.8
|
23.6
|
0.8
|
|
H011
|
A:8FH302
|
2.8
|
34.1
|
0.8
|
|
CL3
|
A:8FH302
|
2.8
|
19.1
|
0.8
|
|
CL2
|
A:8FH302
|
2.9
|
19.8
|
0.8
|
|
H021
|
A:8FH302
|
2.9
|
28.3
|
0.8
|
|
HZ
|
A:PHE44
|
2.9
|
17.7
|
1.0
|
|
HA
|
A:SER39
|
2.9
|
17.7
|
1.0
|
|
HG11
|
A:VAL58
|
3.0
|
18.6
|
1.0
|
|
O01
|
A:8FH302
|
3.1
|
28.5
|
0.8
|
|
HE2
|
A:PHE44
|
3.1
|
17.8
|
1.0
|
|
HG21
|
A:VAL58
|
3.3
|
15.7
|
1.0
|
|
HB
|
A:VAL42
|
3.4
|
16.8
|
1.0
|
|
CZ
|
A:PHE44
|
3.6
|
14.7
|
1.0
|
|
H022
|
A:8FH302
|
3.6
|
28.3
|
0.8
|
|
CE2
|
A:PHE44
|
3.7
|
14.8
|
1.0
|
|
CA
|
A:SER39
|
3.8
|
14.7
|
1.0
|
|
CG1
|
A:VAL58
|
3.9
|
15.5
|
1.0
|
|
HB3
|
A:SER39
|
4.0
|
19.5
|
1.0
|
|
O
|
A:HOH569
|
4.0
|
32.1
|
1.0
|
|
HG11
|
A:VAL42
|
4.0
|
16.1
|
1.0
|
|
O
|
A:HOH436
|
4.1
|
32.4
|
1.0
|
|
HG21
|
A:VAL42
|
4.1
|
19.1
|
1.0
|
|
CG2
|
A:VAL58
|
4.2
|
13.1
|
1.0
|
|
N
|
A:SER39
|
4.2
|
13.8
|
1.0
|
|
HG13
|
A:VAL58
|
4.2
|
18.6
|
1.0
|
|
HB2
|
A:SER39
|
4.2
|
19.5
|
1.0
|
|
CB
|
A:VAL42
|
4.2
|
14.0
|
1.0
|
|
CB
|
A:SER39
|
4.3
|
16.2
|
1.0
|
|
O
|
A:LEU38
|
4.3
|
13.6
|
1.0
|
|
HG22
|
A:VAL58
|
4.4
|
15.7
|
1.0
|
|
C
|
A:LEU38
|
4.4
|
13.8
|
1.0
|
|
CG1
|
A:VAL42
|
4.5
|
13.4
|
1.0
|
|
HB3
|
A:LEU38
|
4.5
|
15.1
|
1.0
|
|
CB
|
A:VAL58
|
4.6
|
13.8
|
1.0
|
|
HG12
|
A:VAL58
|
4.6
|
18.6
|
1.0
|
|
HG12
|
A:VAL42
|
4.6
|
16.1
|
1.0
|
|
H
|
A:SER39
|
4.6
|
16.6
|
1.0
|
|
CG2
|
A:VAL42
|
4.6
|
15.9
|
1.0
|
|
HB
|
A:VAL58
|
4.6
|
16.6
|
1.0
|
|
HG23
|
A:VAL42
|
4.8
|
19.1
|
1.0
|
|
CE1
|
A:PHE44
|
4.8
|
14.2
|
1.0
|
|
C
|
A:SER39
|
4.9
|
15.7
|
1.0
|
|
HG23
|
A:VAL58
|
4.9
|
15.7
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 2 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:19.8
occ:0.80
|
CL2
|
A:8FH302
|
0.0
|
19.8
|
0.8
|
|
C03
|
A:8FH302
|
1.8
|
20.0
|
0.8
|
|
C02
|
A:8FH302
|
2.7
|
23.6
|
0.8
|
|
HG11
|
A:VAL58
|
2.7
|
18.6
|
1.0
|
|
H022
|
A:8FH302
|
2.9
|
28.3
|
0.8
|
|
CL1
|
A:8FH302
|
2.9
|
20.2
|
0.8
|
|
O01
|
A:8FH302
|
2.9
|
28.5
|
0.8
|
|
CL3
|
A:8FH302
|
3.0
|
19.1
|
0.8
|
|
HB
|
A:VAL58
|
3.1
|
16.6
|
1.0
|
|
HG21
|
A:VAL58
|
3.2
|
15.7
|
1.0
|
|
H011
|
A:8FH302
|
3.3
|
34.1
|
0.8
|
|
OD1
|
A:ASN55
|
3.3
|
19.1
|
1.0
|
|
CG1
|
A:VAL58
|
3.5
|
15.5
|
1.0
|
|
HZ
|
A:PHE44
|
3.5
|
17.7
|
1.0
|
|
HE3
|
A:LYS35
|
3.5
|
20.4
|
1.0
|
|
H021
|
A:8FH302
|
3.5
|
28.3
|
0.8
|
|
O
|
A:HOH469
|
3.5
|
24.5
|
1.0
|
|
CB
|
A:VAL58
|
3.6
|
13.8
|
1.0
|
|
O
|
A:HOH485
|
3.6
|
21.5
|
1.0
|
|
HA
|
A:ASN55
|
3.7
|
16.4
|
1.0
|
|
HG12
|
A:VAL58
|
3.7
|
18.6
|
1.0
|
|
CG2
|
A:VAL58
|
3.9
|
13.1
|
1.0
|
|
HZ1
|
A:LYS35
|
4.0
|
20.1
|
1.0
|
|
HE2
|
A:LYS35
|
4.2
|
20.4
|
1.0
|
|
CE
|
A:LYS35
|
4.2
|
17.0
|
1.0
|
|
HG13
|
A:VAL58
|
4.3
|
18.6
|
1.0
|
|
HG23
|
A:VAL58
|
4.3
|
15.7
|
1.0
|
|
CG
|
A:ASN55
|
4.4
|
18.1
|
1.0
|
|
CZ
|
A:PHE44
|
4.4
|
14.7
|
1.0
|
|
NZ
|
A:LYS35
|
4.6
|
16.8
|
1.0
|
|
HG22
|
A:VAL58
|
4.6
|
15.7
|
1.0
|
|
CA
|
A:ASN55
|
4.6
|
13.7
|
1.0
|
|
O
|
A:ASN55
|
4.8
|
12.3
|
1.0
|
|
HZ2
|
A:LYS35
|
4.9
|
20.1
|
1.0
|
|
CB
|
A:ASN55
|
5.0
|
14.9
|
1.0
|
|
HE2
|
A:PHE44
|
5.0
|
17.8
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 3 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:19.1
occ:0.80
|
CL3
|
A:8FH302
|
0.0
|
19.1
|
0.8
|
|
C03
|
A:8FH302
|
1.8
|
20.0
|
0.8
|
|
C02
|
A:8FH302
|
2.7
|
23.6
|
0.8
|
|
CL1
|
A:8FH302
|
2.8
|
20.2
|
0.8
|
|
H022
|
A:8FH302
|
2.9
|
28.3
|
0.8
|
|
H021
|
A:8FH302
|
2.9
|
28.3
|
0.8
|
|
HG11
|
A:VAL58
|
2.9
|
18.6
|
1.0
|
|
CL2
|
A:8FH302
|
3.0
|
19.8
|
0.8
|
|
HB3
|
A:SER39
|
3.0
|
19.5
|
1.0
|
|
HB3
|
A:LYS35
|
3.1
|
18.3
|
1.0
|
|
O
|
A:LYS35
|
3.2
|
15.1
|
1.0
|
|
HE2
|
A:LYS35
|
3.4
|
20.4
|
1.0
|
|
HE3
|
A:LYS35
|
3.4
|
20.4
|
1.0
|
|
H
|
A:SER39
|
3.7
|
16.6
|
1.0
|
|
HA
|
A:SER39
|
3.7
|
17.7
|
1.0
|
|
CG1
|
A:VAL58
|
3.7
|
15.5
|
1.0
|
|
HG12
|
A:VAL58
|
3.7
|
18.6
|
1.0
|
|
HA
|
A:LYS35
|
3.8
|
16.9
|
1.0
|
|
CB
|
A:SER39
|
3.8
|
16.2
|
1.0
|
|
N
|
A:SER39
|
3.8
|
13.8
|
1.0
|
|
CE
|
A:LYS35
|
3.8
|
17.0
|
1.0
|
|
CB
|
A:LYS35
|
3.9
|
15.3
|
1.0
|
|
HB2
|
A:LEU38
|
3.9
|
15.1
|
1.0
|
|
O
|
A:HOH632
|
3.9
|
27.2
|
1.0
|
|
C
|
A:LYS35
|
4.0
|
14.5
|
1.0
|
|
O01
|
A:8FH302
|
4.0
|
28.5
|
0.8
|
|
HG2
|
A:LYS35
|
4.0
|
17.4
|
1.0
|
|
CA
|
A:SER39
|
4.0
|
14.7
|
1.0
|
|
CA
|
A:LYS35
|
4.1
|
14.1
|
1.0
|
|
HG13
|
A:VAL58
|
4.2
|
18.6
|
1.0
|
|
HB2
|
A:SER39
|
4.2
|
19.5
|
1.0
|
|
H011
|
A:8FH302
|
4.2
|
34.1
|
0.8
|
|
HB3
|
A:LEU38
|
4.3
|
15.1
|
1.0
|
|
CG
|
A:LYS35
|
4.4
|
14.5
|
1.0
|
|
C
|
A:LEU38
|
4.5
|
13.8
|
1.0
|
|
CB
|
A:LEU38
|
4.5
|
12.6
|
1.0
|
|
HB2
|
A:LYS35
|
4.7
|
18.3
|
1.0
|
|
CD
|
A:LYS35
|
4.7
|
15.4
|
1.0
|
|
O
|
A:HOH485
|
4.8
|
21.5
|
1.0
|
|
HB
|
A:VAL58
|
4.8
|
16.6
|
1.0
|
|
HZ1
|
A:LYS35
|
4.8
|
20.1
|
1.0
|
|
HG21
|
A:VAL58
|
4.8
|
15.7
|
1.0
|
|
CB
|
A:VAL58
|
4.9
|
13.8
|
1.0
|
|
OG
|
A:SER39
|
4.9
|
17.9
|
1.0
|
|
HG
|
A:SER39
|
4.9
|
21.5
|
1.0
|
|
NZ
|
A:LYS35
|
5.0
|
16.8
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 4 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:19.6
occ:0.80
|
CL1
|
B:8FH302
|
0.0
|
19.6
|
0.8
|
|
C03
|
B:8FH302
|
1.8
|
23.4
|
0.8
|
|
C02
|
B:8FH302
|
2.7
|
28.9
|
0.8
|
|
H022
|
B:8FH302
|
2.7
|
34.7
|
0.8
|
|
CL3
|
B:8FH302
|
2.8
|
23.6
|
0.8
|
|
HA
|
B:SER39
|
2.9
|
19.6
|
1.0
|
|
CL2
|
B:8FH302
|
2.9
|
21.6
|
0.8
|
|
HZ
|
B:PHE44
|
2.9
|
16.3
|
1.0
|
|
HG11
|
B:VAL58
|
3.0
|
17.6
|
1.0
|
|
O01
|
B:8FH302
|
3.2
|
31.3
|
0.8
|
|
HE2
|
B:PHE44
|
3.2
|
16.8
|
1.0
|
|
HB
|
B:VAL42
|
3.2
|
15.4
|
1.0
|
|
HG21
|
B:VAL58
|
3.2
|
15.2
|
1.0
|
|
H021
|
B:8FH302
|
3.6
|
34.7
|
0.8
|
|
CZ
|
B:PHE44
|
3.6
|
13.6
|
1.0
|
|
CE2
|
B:PHE44
|
3.7
|
14.0
|
1.0
|
|
H011
|
B:8FH302
|
3.7
|
37.5
|
0.8
|
|
CA
|
B:SER39
|
3.8
|
16.3
|
1.0
|
|
CG1
|
B:VAL58
|
3.9
|
14.7
|
1.0
|
|
HG11
|
B:VAL42
|
4.0
|
18.3
|
1.0
|
|
O
|
B:LEU38
|
4.0
|
13.7
|
1.0
|
|
HG13
|
B:VAL58
|
4.0
|
17.6
|
1.0
|
|
HB3
|
B:SER39
|
4.1
|
24.5
|
1.0
|
|
N
|
B:SER39
|
4.1
|
14.9
|
1.0
|
|
CG2
|
B:VAL58
|
4.1
|
12.7
|
1.0
|
|
CB
|
B:VAL42
|
4.1
|
12.8
|
1.0
|
|
HG21
|
B:VAL42
|
4.1
|
16.5
|
1.0
|
|
HG22
|
B:VAL58
|
4.2
|
15.2
|
1.0
|
|
C
|
B:LEU38
|
4.2
|
13.4
|
1.0
|
|
HB3
|
B:LEU38
|
4.3
|
15.4
|
1.0
|
|
CB
|
B:SER39
|
4.3
|
20.4
|
1.0
|
|
HB2
|
B:SER39
|
4.4
|
24.5
|
1.0
|
|
CG1
|
B:VAL42
|
4.4
|
15.2
|
1.0
|
|
HG12
|
B:VAL42
|
4.5
|
18.3
|
1.0
|
|
H
|
B:SER39
|
4.5
|
17.9
|
1.0
|
|
CG2
|
B:VAL42
|
4.5
|
13.8
|
1.0
|
|
CB
|
B:VAL58
|
4.5
|
12.7
|
1.0
|
|
HG12
|
B:VAL58
|
4.6
|
17.6
|
1.0
|
|
HG23
|
B:VAL42
|
4.7
|
16.5
|
1.0
|
|
HB
|
B:VAL58
|
4.7
|
15.2
|
1.0
|
|
HB2
|
B:LEU38
|
4.8
|
15.4
|
1.0
|
|
H
|
B:VAL42
|
4.8
|
15.0
|
1.0
|
|
HG23
|
B:VAL58
|
4.8
|
15.2
|
1.0
|
|
CE1
|
B:PHE44
|
4.8
|
13.2
|
1.0
|
|
C
|
B:SER39
|
4.9
|
16.8
|
1.0
|
|
CB
|
B:LEU38
|
4.9
|
12.8
|
1.0
|
|
O
|
B:LYS35
|
5.0
|
21.1
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 5 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:21.6
occ:0.80
|
CL2
|
B:8FH302
|
0.0
|
21.6
|
0.8
|
|
C03
|
B:8FH302
|
1.8
|
23.4
|
0.8
|
|
H011
|
B:8FH302
|
2.6
|
37.5
|
0.8
|
|
C02
|
B:8FH302
|
2.7
|
28.9
|
0.8
|
|
O01
|
B:8FH302
|
2.8
|
31.3
|
0.8
|
|
HG11
|
B:VAL58
|
2.9
|
17.6
|
1.0
|
|
CL1
|
B:8FH302
|
2.9
|
19.6
|
0.8
|
|
H021
|
B:8FH302
|
3.0
|
34.7
|
0.8
|
|
CL3
|
B:8FH302
|
3.0
|
23.6
|
0.8
|
|
HG21
|
B:VAL58
|
3.1
|
15.2
|
1.0
|
|
HZ
|
B:PHE44
|
3.3
|
16.3
|
1.0
|
|
HB
|
B:VAL58
|
3.3
|
15.2
|
1.0
|
|
OD1
|
B:ASN55
|
3.4
|
18.0
|
1.0
|
|
HE3
|
B:LYS35
|
3.5
|
27.9
|
1.0
|
|
H022
|
B:8FH302
|
3.6
|
34.7
|
0.8
|
|
HE2
|
B:LYS35
|
3.6
|
27.9
|
1.0
|
|
O
|
B:HOH527
|
3.6
|
24.0
|
1.0
|
|
CG1
|
B:VAL58
|
3.7
|
14.7
|
1.0
|
|
HZ1
|
B:LYS35
|
3.7
|
32.9
|
1.0
|
|
CB
|
B:VAL58
|
3.8
|
12.7
|
1.0
|
|
HA
|
B:ASN55
|
3.9
|
15.7
|
1.0
|
|
CG2
|
B:VAL58
|
3.9
|
12.7
|
1.0
|
|
CE
|
B:LYS35
|
3.9
|
23.3
|
1.0
|
|
HG12
|
B:VAL58
|
4.0
|
17.6
|
1.0
|
|
CZ
|
B:PHE44
|
4.2
|
13.6
|
1.0
|
|
NZ
|
B:LYS35
|
4.3
|
27.4
|
1.0
|
|
HG23
|
B:VAL58
|
4.4
|
15.2
|
1.0
|
|
HG13
|
B:VAL58
|
4.4
|
17.6
|
1.0
|
|
CG
|
B:ASN55
|
4.5
|
16.6
|
1.0
|
|
HG22
|
B:VAL58
|
4.6
|
15.2
|
1.0
|
|
HE2
|
B:PHE44
|
4.7
|
16.8
|
1.0
|
|
CA
|
B:ASN55
|
4.8
|
13.1
|
1.0
|
|
HZ2
|
B:LYS35
|
4.8
|
32.9
|
1.0
|
|
HZ3
|
B:LYS35
|
4.9
|
32.9
|
1.0
|
|
HB2
|
B:ASN55
|
4.9
|
17.1
|
1.0
|
|
CE2
|
B:PHE44
|
4.9
|
14.0
|
1.0
|
|
HE1
|
B:PHE44
|
4.9
|
15.8
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 6 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:23.6
occ:0.80
|
CL3
|
B:8FH302
|
0.0
|
23.6
|
0.8
|
|
C03
|
B:8FH302
|
1.8
|
23.4
|
0.8
|
|
C02
|
B:8FH302
|
2.7
|
28.9
|
0.8
|
|
H021
|
B:8FH302
|
2.8
|
34.7
|
0.8
|
|
CL1
|
B:8FH302
|
2.8
|
19.6
|
0.8
|
|
HB3
|
B:LYS35
|
2.9
|
23.3
|
1.0
|
|
H022
|
B:8FH302
|
3.0
|
34.7
|
0.8
|
|
O
|
B:LYS35
|
3.0
|
21.1
|
1.0
|
|
CL2
|
B:8FH302
|
3.0
|
21.6
|
0.8
|
|
HB3
|
B:SER39
|
3.0
|
24.5
|
1.0
|
|
HG11
|
B:VAL58
|
3.1
|
17.6
|
1.0
|
|
HE2
|
B:LYS35
|
3.1
|
27.9
|
1.0
|
|
HA
|
B:SER39
|
3.7
|
19.6
|
1.0
|
|
H
|
B:SER39
|
3.7
|
17.9
|
1.0
|
|
HE3
|
B:LYS35
|
3.7
|
27.9
|
1.0
|
|
C
|
B:LYS35
|
3.7
|
22.0
|
1.0
|
|
HA
|
B:LYS35
|
3.8
|
21.8
|
1.0
|
|
CB
|
B:LYS35
|
3.8
|
19.4
|
1.0
|
|
N
|
B:SER39
|
3.8
|
14.9
|
1.0
|
|
CB
|
B:SER39
|
3.9
|
20.4
|
1.0
|
|
CE
|
B:LYS35
|
3.9
|
23.3
|
1.0
|
|
CG1
|
B:VAL58
|
3.9
|
14.7
|
1.0
|
|
O01
|
B:8FH302
|
4.0
|
31.3
|
0.8
|
|
HG12
|
B:VAL58
|
4.0
|
17.6
|
1.0
|
|
CA
|
B:LYS35
|
4.0
|
18.2
|
1.0
|
|
CA
|
B:SER39
|
4.0
|
16.3
|
1.0
|
|
HB2
|
B:LEU38
|
4.0
|
15.4
|
1.0
|
|
HG2
|
B:LYS35
|
4.2
|
23.5
|
1.0
|
|
HB2
|
B:SER39
|
4.2
|
24.5
|
1.0
|
|
H011
|
B:8FH302
|
4.2
|
37.5
|
0.8
|
|
HG13
|
B:VAL58
|
4.3
|
17.6
|
1.0
|
|
CG
|
B:LYS35
|
4.4
|
19.6
|
1.0
|
|
HB2
|
B:LYS35
|
4.5
|
23.3
|
1.0
|
|
C
|
B:LEU38
|
4.5
|
13.4
|
1.0
|
|
HB3
|
B:LEU38
|
4.5
|
15.4
|
1.0
|
|
CB
|
B:LEU38
|
4.7
|
12.8
|
1.0
|
|
CD
|
B:LYS35
|
4.7
|
23.5
|
1.0
|
|
HG21
|
B:VAL58
|
4.8
|
15.2
|
1.0
|
|
N
|
B:ASP36
|
4.8
|
23.1
|
1.0
|
|
HZ1
|
B:LYS35
|
4.8
|
32.9
|
1.0
|
|
HA
|
B:ASP36
|
4.9
|
31.9
|
1.0
|
|
HG
|
B:SER39
|
4.9
|
29.7
|
1.0
|
|
OG
|
B:SER39
|
4.9
|
24.7
|
1.0
|
|
NZ
|
B:LYS35
|
5.0
|
27.4
|
1.0
|
|
HB
|
B:VAL58
|
5.0
|
15.2
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 7 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl303
b:27.4
occ:0.80
|
CL1
|
B:8FH303
|
0.0
|
27.4
|
0.8
|
|
C03
|
B:8FH303
|
1.8
|
27.1
|
0.8
|
|
C02
|
B:8FH303
|
2.7
|
24.3
|
0.8
|
|
H021
|
B:8FH303
|
2.7
|
29.1
|
0.8
|
|
CL3
|
B:8FH303
|
2.9
|
26.9
|
0.8
|
|
H022
|
B:8FH303
|
2.9
|
29.1
|
0.8
|
|
O
|
B:HOH455
|
3.0
|
22.0
|
1.0
|
|
CL2
|
B:8FH303
|
3.1
|
28.2
|
0.8
|
|
O01
|
B:8FH303
|
4.0
|
22.7
|
0.8
|
|
H011
|
B:8FH303
|
4.3
|
27.2
|
0.8
|
|
O
|
B:SER39
|
4.6
|
18.8
|
1.0
|
|
HG22
|
B:VAL43
|
4.6
|
20.8
|
1.0
|
|
O
|
B:VAL42
|
4.9
|
16.1
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 8 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl303
b:28.2
occ:0.80
|
CL2
|
B:8FH303
|
0.0
|
28.2
|
0.8
|
|
C03
|
B:8FH303
|
1.8
|
27.1
|
0.8
|
|
C02
|
B:8FH303
|
2.7
|
24.3
|
0.8
|
|
H022
|
B:8FH303
|
2.8
|
29.1
|
0.8
|
|
H011
|
B:8FH303
|
2.8
|
27.2
|
0.8
|
|
CL3
|
B:8FH303
|
2.9
|
26.9
|
0.8
|
|
CL1
|
B:8FH303
|
3.1
|
27.4
|
0.8
|
|
HE3
|
B:LYS78
|
3.1
|
30.8
|
1.0
|
|
O01
|
B:8FH303
|
3.1
|
22.7
|
0.8
|
|
HA
|
B:GLN40
|
3.3
|
20.2
|
1.0
|
|
O
|
B:VAL42
|
3.5
|
16.1
|
1.0
|
|
O
|
B:SER39
|
3.5
|
18.8
|
1.0
|
|
H021
|
B:8FH303
|
3.6
|
29.1
|
0.8
|
|
HG22
|
B:VAL43
|
3.6
|
20.8
|
1.0
|
|
C
|
B:GLN40
|
3.6
|
16.4
|
1.0
|
|
O
|
B:HOH455
|
3.6
|
22.0
|
1.0
|
|
HD2
|
B:LYS78
|
3.8
|
25.9
|
1.0
|
|
O
|
B:GLN40
|
3.9
|
16.5
|
1.0
|
|
CA
|
B:GLN40
|
3.9
|
16.9
|
1.0
|
|
CE
|
B:LYS78
|
3.9
|
25.6
|
1.0
|
|
N
|
B:ILE41
|
4.0
|
14.5
|
1.0
|
|
HG23
|
B:VAL43
|
4.1
|
20.8
|
1.0
|
|
HE2
|
B:LYS78
|
4.2
|
30.8
|
1.0
|
|
H
|
B:ILE41
|
4.2
|
17.4
|
1.0
|
|
CG2
|
B:VAL43
|
4.3
|
17.3
|
1.0
|
|
CD
|
B:LYS78
|
4.3
|
21.6
|
1.0
|
|
C
|
B:ILE41
|
4.4
|
12.9
|
1.0
|
|
C
|
B:VAL42
|
4.4
|
13.6
|
1.0
|
|
C
|
B:SER39
|
4.4
|
16.8
|
1.0
|
|
HA
|
B:ILE41
|
4.5
|
16.8
|
1.0
|
|
CA
|
B:ILE41
|
4.6
|
14.0
|
1.0
|
|
O
|
B:ILE41
|
4.6
|
11.6
|
1.0
|
|
N
|
B:GLN40
|
4.6
|
15.7
|
1.0
|
|
HA
|
B:VAL43
|
4.6
|
15.1
|
1.0
|
|
N
|
B:VAL42
|
4.6
|
12.5
|
1.0
|
|
HD3
|
B:LYS78
|
4.7
|
25.9
|
1.0
|
|
H
|
B:VAL42
|
4.8
|
15.0
|
1.0
|
|
HG21
|
B:VAL43
|
4.9
|
20.8
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 5n12
Go back to
Chlorine Binding Sites List in 5n12
Chlorine binding site 9 out
of 9 in the Crystal Structure of Tce Treated Rppep-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 Tce Treated Rppep-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl303
b:26.9
occ:0.80
|
CL3
|
B:8FH303
|
0.0
|
26.9
|
0.8
|
|
C03
|
B:8FH303
|
1.8
|
27.1
|
0.8
|
|
C02
|
B:8FH303
|
2.7
|
24.3
|
0.8
|
|
CL2
|
B:8FH303
|
2.9
|
28.2
|
0.8
|
|
O01
|
B:8FH303
|
2.9
|
22.7
|
0.8
|
|
H021
|
B:8FH303
|
2.9
|
29.1
|
0.8
|
|
CL1
|
B:8FH303
|
2.9
|
27.4
|
0.8
|
|
H011
|
B:8FH303
|
3.3
|
27.2
|
0.8
|
|
HE3
|
B:LYS78
|
3.5
|
30.8
|
1.0
|
|
H022
|
B:8FH303
|
3.6
|
29.1
|
0.8
|
|
HE2
|
B:LYS78
|
3.9
|
30.8
|
1.0
|
|
CE
|
B:LYS78
|
4.1
|
25.6
|
1.0
|
|
O
|
B:HOH543
|
4.2
|
37.7
|
1.0
|
|
HZ1
|
B:LYS78
|
4.6
|
31.0
|
1.0
|
|
HG22
|
B:VAL43
|
4.6
|
20.8
|
1.0
|
|
NZ
|
B:LYS78
|
4.9
|
25.8
|
1.0
|
|
HA
|
B:GLN40
|
5.0
|
20.2
|
1.0
|
|
Reference:
C.Pichlo,
C.Toelzer,
K.Chojnacki,
S.Ocal,
M.Uthoff,
S.Ruegenberg,
T.Hermanns,
M.Schacherl,
M.S.Denzel,
K.Hofmann,
K.Niefind,
U.Baumann.
Improved Protein-Crystal Identification By Using 2,2,2-Trichloroethanol As A Fluorescence Enhancer. Acta Crystallogr F Struct V. 74 307 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 29717999
DOI: 10.1107/S2053230X18005253
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