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Chlorine in PDB 7afx: Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139

Protein crystallography data

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139, PDB code: 7afx was solved by J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.14 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 103.251, 79.066, 67.951, 90, 130.37, 90
R / Rfree (%) 16.1 / 18.1

Other elements in 7afx:

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 (pdb code 7afx). 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 the Metallo-Beta-Lactamase VIM2 with 139, PDB code: 7afx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7afx

Go back to Chlorine Binding Sites List in 7afx
Chlorine binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139


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 the Metallo-Beta-Lactamase VIM2 with 139 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:21.2
occ:1.00
CL1 A:R9K304 0.0 21.2 1.0
C12 A:R9K304 1.7 16.8 1.0
C14 A:R9K304 2.7 16.3 1.0
C11 A:R9K304 2.7 14.0 1.0
H141 A:R9K304 2.8 19.7 1.0
HB2 A:ASN210 2.8 22.8 0.4
HB2 A:ASN210 3.1 22.8 0.6
HA3 A:GLY209 3.1 18.8 1.0
C10 A:R9K304 3.1 11.4 1.0
H051 A:R9K304 3.2 17.3 1.0
C06 A:R9K304 3.5 11.9 1.0
H A:ASN210 3.5 21.1 0.6
H A:ASN210 3.5 21.1 0.4
C05 A:R9K304 3.5 14.4 1.0
O A:HOH493 3.6 33.2 1.0
N A:ASN210 3.6 17.4 1.0
HE2 A:TYR67 3.7 17.5 1.0
C A:GLY209 3.7 15.6 1.0
HB3 A:ASN210 3.7 22.8 0.6
CB A:ASN210 3.7 18.9 0.4
CB A:ASN210 3.8 18.9 0.6
CA A:GLY209 3.8 15.6 1.0
O A:HOH582 3.8 32.7 1.0
C17 A:R9K304 4.0 12.9 1.0
C15 A:R9K304 4.0 15.9 1.0
O A:HOH577 4.0 19.6 0.4
CE2 A:TYR67 4.0 14.5 1.0
HB3 A:ASN210 4.0 22.8 0.4
HA2 A:GLY209 4.1 18.8 1.0
O A:HOH577 4.1 20.1 0.6
C09 A:R9K304 4.2 11.2 1.0
HD21 A:ASN210 4.2 27.0 0.4
HH21 A:ARG205 4.3 19.4 1.0
CA A:ASN210 4.3 17.2 0.4
CA A:ASN210 4.3 17.1 0.6
O A:GLY209 4.3 16.3 1.0
HH22 A:ARG205 4.4 19.4 1.0
CZ A:TYR67 4.5 15.2 1.0
NH2 A:ARG205 4.5 16.0 1.0
C16 A:R9K304 4.5 15.1 1.0
C07 A:R9K304 4.5 12.2 1.0
OH A:TYR67 4.5 16.7 1.0
O A:HOH453 4.6 25.6 1.0
O A:HOH566 4.6 31.9 1.0
CD2 A:TYR67 4.6 13.3 1.0
O19 A:R9K304 4.6 11.8 1.0
HA A:ASN210 4.6 20.8 0.4
C04 A:R9K304 4.7 14.9 1.0
HA A:ASN210 4.7 20.7 0.6
HD2 A:TYR67 4.7 15.4 1.0
H151 A:R9K304 4.7 19.2 1.0
H171 A:R9K304 4.8 15.5 1.0
ND2 A:ASN210 4.8 22.4 0.4
CG A:ASN210 4.8 20.8 0.4
N08 A:R9K304 4.8 11.9 1.0
C18 A:R9K304 4.9 11.5 1.0
O A:HOH443 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in 7afx

Go back to Chlorine Binding Sites List in 7afx
Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139


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 the Metallo-Beta-Lactamase VIM2 with 139 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:19.4
occ:1.00
CL1 B:R9K304 0.0 19.4 1.0
C12 B:R9K304 1.7 16.6 1.0
C14 B:R9K304 2.7 15.9 1.0
C11 B:R9K304 2.7 14.9 1.0
H141 B:R9K304 2.8 19.2 1.0
HB2 B:ASN210 2.9 24.7 0.5
HA3 B:GLY209 3.0 26.3 1.0
HB2 B:ASN210 3.1 24.8 0.5
C10 B:R9K304 3.2 15.1 1.0
H051 B:R9K304 3.3 20.6 1.0
H B:ASN210 3.5 23.8 0.5
C06 B:R9K304 3.5 15.6 1.0
H B:ASN210 3.5 23.8 0.5
N B:ASN210 3.6 19.7 1.0
C05 B:R9K304 3.7 17.1 1.0
C B:GLY209 3.7 21.3 1.0
O B:HOH505 3.7 31.5 1.0
CA B:GLY209 3.7 21.8 1.0
HE2 B:TYR67 3.8 19.3 1.0
HB3 B:ASN210 3.8 24.8 0.5
CB B:ASN210 3.8 20.5 0.5
CB B:ASN210 3.8 20.6 0.5
O B:HOH572 3.9 33.3 1.0
O B:HOH414 3.9 22.8 0.5
C15 B:R9K304 4.0 14.9 1.0
HA2 B:GLY209 4.0 26.3 1.0
C17 B:R9K304 4.0 13.5 1.0
HD22 B:ASN210 4.1 29.1 0.5
HB3 B:ASN210 4.1 24.7 0.5
CE2 B:TYR67 4.2 16.0 1.0
C09 B:R9K304 4.2 14.4 1.0
HH21 B:ARG205 4.2 25.4 1.0
CA B:ASN210 4.3 19.6 0.5
HH22 B:ARG205 4.3 25.4 1.0
CA B:ASN210 4.3 19.7 0.5
O B:GLY209 4.4 21.0 1.0
HH B:TYR67 4.4 23.2 1.0
NH2 B:ARG205 4.5 21.1 1.0
C16 B:R9K304 4.5 13.7 1.0
C07 B:R9K304 4.6 15.7 1.0
O20 B:R9K304 4.6 13.8 1.0
CZ B:TYR67 4.7 17.3 1.0
HA B:ASN210 4.7 23.7 0.5
HA B:ASN210 4.7 23.7 0.5
O B:HOH555 4.7 39.9 1.0
OH B:TYR67 4.7 19.3 1.0
CD2 B:TYR67 4.7 14.7 1.0
H151 B:R9K304 4.7 18.0 1.0
C04 B:R9K304 4.8 17.6 1.0
ND2 B:ASN210 4.8 24.2 0.5
HD2 B:TYR67 4.8 17.8 1.0
H171 B:R9K304 4.8 16.3 1.0
CG B:ASN210 4.8 22.8 0.5
N08 B:R9K304 4.9 14.4 1.0
O A:HOH453 4.9 25.6 1.0
C18 B:R9K304 4.9 13.8 1.0
N B:GLY209 5.0 20.4 1.0

Reference:

J.Brem, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 To Be Published.
Page generated: Fri Nov 5 12:18:40 2021

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