Atomistry » Chlorine » PDB 3ili-3ist » 3iog
Atomistry »
  Chlorine »
    PDB 3ili-3ist »
      3iog »

Chlorine in PDB 3iog: Crystal Structure of Cpha N220G Mutant with Inhibitor 18

Enzymatic activity of Crystal Structure of Cpha N220G Mutant with Inhibitor 18

All present enzymatic activity of Crystal Structure of Cpha N220G Mutant with Inhibitor 18:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Cpha N220G Mutant with Inhibitor 18, PDB code: 3iog was solved by H.Delbruck, C.Bebrone, K.M.V.Hoffmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.59 / 1.41
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 42.727, 100.877, 117.559, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 15.5

Other elements in 3iog:

The structure of Crystal Structure of Cpha N220G Mutant with Inhibitor 18 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cpha N220G Mutant with Inhibitor 18 (pdb code 3iog). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Cpha N220G Mutant with Inhibitor 18, PDB code: 3iog:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3iog

Go back to Chlorine Binding Sites List in 3iog
Chlorine binding site 1 out of 2 in the Crystal Structure of Cpha N220G Mutant with Inhibitor 18


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 Cpha N220G Mutant with Inhibitor 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:14.8
occ:0.65
CL1 A:SDF311 0.0 14.8 0.7
C2 A:SDF311 1.8 13.9 0.7
C3 A:SDF311 2.7 17.2 0.7
C1 A:SDF311 2.8 12.0 0.7
C7 A:SDF311 3.1 10.4 0.7
CE1 A:HIS263 3.4 7.7 1.0
CZ2 A:TRP87 3.6 8.2 1.0
CG1 A:VAL67 3.7 11.0 1.0
CH2 A:TRP87 3.7 8.2 1.0
CB A:VAL67 3.7 9.8 1.0
O11 A:SDF311 3.9 8.6 0.7
OD2 A:ASP120 3.9 8.1 1.0
NE2 A:HIS263 3.9 7.5 1.0
ND1 A:HIS263 3.9 7.2 1.0
C4 A:SDF311 4.0 18.6 0.7
C6 A:SDF311 4.1 14.7 0.7
P1 A:SDF311 4.2 9.1 0.7
ZN A:ZN1 4.3 8.1 1.0
CG2 A:VAL67 4.5 12.8 1.0
C5 A:SDF311 4.5 17.4 0.7
S1 A:SDF311 4.5 14.8 0.7
O A:VAL67 4.6 8.4 1.0
CD2 A:HIS263 4.7 6.9 1.0
CG A:HIS263 4.7 6.4 1.0
CG A:ASP120 4.7 7.8 1.0
O A:HOH449 4.8 10.0 0.5
CE2 A:TRP87 4.9 6.7 1.0
CA A:VAL67 4.9 9.9 1.0
O12 A:SDF311 4.9 11.4 0.7
CB A:ASP120 5.0 6.9 1.0
C A:VAL67 5.0 8.2 1.0

Chlorine binding site 2 out of 2 in 3iog

Go back to Chlorine Binding Sites List in 3iog
Chlorine binding site 2 out of 2 in the Crystal Structure of Cpha N220G Mutant with Inhibitor 18


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 Cpha N220G Mutant with Inhibitor 18 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:25.4
occ:0.65
CL2 A:SDF311 0.0 25.4 0.7
C4 A:SDF311 1.8 18.6 0.7
C3 A:SDF311 2.7 17.2 0.7
C5 A:SDF311 2.8 17.4 0.7
O A:HOH284 3.5 19.6 1.0
O A:THR157 4.0 10.8 1.0
C2 A:SDF311 4.1 13.9 0.7
CD1 A:LEU161 4.1 12.4 1.0
CA A:THR157 4.1 10.4 1.0
C6 A:SDF311 4.1 14.7 0.7
CG A:LEU161 4.3 11.5 1.0
CA A:GLY160 4.4 15.9 1.0
O A:PHE156 4.4 13.2 1.0
O A:HOH414 4.4 24.0 1.0
C A:THR157 4.5 10.7 1.0
O A:HOH454 4.5 34.2 1.0
C1 A:SDF311 4.7 12.0 0.7
CE2 A:PHE156 4.7 20.2 1.0
CG2 A:THR157 4.7 10.6 1.0
N A:GLY160 4.8 15.7 1.0
CD2 A:PHE156 4.8 18.0 1.0
C A:GLY160 4.9 14.4 1.0
CB A:THR157 4.9 9.6 1.0
N A:THR157 4.9 10.9 1.0
N A:LEU161 5.0 11.7 1.0

Reference:

P.Lassaux, M.Hamel, M.Gulea, H.Delbruck, P.S.Mercuri, L.Horsfall, D.Dehareng, M.Kupper, J.-M.Frere, K.Hoffmann, M.Galleni, C.Bebrone. Mercaptophosphonate Compounds As Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases J.Med.Chem. V. 53 4862 2010.
ISSN: ISSN 0022-2623
PubMed: 20527888
DOI: 10.1021/JM100213C
Page generated: Sat Dec 12 09:48:36 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy