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Zinc in PDB 8p9t: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483

Protein crystallography data

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483, PDB code: 8p9t was solved by K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.12 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.535, 67.89, 40.326, 90, 93.45, 90
R / Rfree (%) 11.2 / 12.7

Other elements in 8p9t:

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483 (pdb code 8p9t). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483, PDB code: 8p9t:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 8p9t

Go back to Zinc Binding Sites List in 8p9t
Zinc binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:9.4
occ:0.87
O A:HOH470 1.9 9.6 1.0
NE2 A:HIS179 2.0 10.0 1.0
ND1 A:HIS116 2.0 10.6 1.0
NE2 A:HIS114 2.1 8.9 1.0
HB2 A:HIS116 2.9 10.2 1.0
CE1 A:HIS116 3.0 10.6 1.0
CE1 A:HIS179 3.0 10.8 1.0
CD2 A:HIS179 3.0 9.8 1.0
CE1 A:HIS114 3.0 8.2 1.0
CG A:HIS116 3.0 9.8 1.0
CD2 A:HIS114 3.1 8.9 1.0
HE1 A:HIS116 3.1 12.8 1.0
HE1 A:HIS179 3.2 12.9 1.0
HE1 A:HIS114 3.2 9.9 1.0
HD2 A:HIS179 3.2 11.8 1.0
H121 A:XCQ303 3.2 12.3 1.0
HD2 A:HIS114 3.3 10.7 1.0
CB A:HIS116 3.4 8.5 1.0
ZN A:ZN302 3.5 8.9 0.8
O05 A:XCQ303 3.5 15.7 1.0
H021 A:XCQ303 3.6 14.3 1.0
HB3 A:HIS116 3.6 10.2 1.0
OD1 A:ASP118 3.8 10.4 1.0
HB2 A:CYS198 3.9 11.8 1.0
O15 A:XCQ303 4.0 11.0 1.0
NE2 A:HIS116 4.1 11.8 1.0
ND1 A:HIS179 4.1 11.1 1.0
ND1 A:HIS114 4.1 8.3 1.0
CG A:HIS179 4.1 10.7 1.0
HB3 A:CYS198 4.1 11.8 1.0
CD2 A:HIS116 4.1 11.2 1.0
CG A:HIS114 4.2 8.0 1.0
N12 A:XCQ303 4.2 10.3 1.0
CB A:CYS198 4.3 9.8 1.0
C04 A:XCQ303 4.3 14.9 1.0
SG A:CYS198 4.4 9.2 1.0
H A:HIS116 4.5 9.2 1.0
OD2 A:ASP118 4.5 10.1 1.0
CG A:ASP118 4.6 9.2 1.0
C02 A:XCQ303 4.6 11.9 1.0
HB3 A:SER180 4.7 13.1 1.0
HG2 A:ARG119 4.7 8.8 1.0
HE A:ARG119 4.8 9.7 1.0
C14 A:XCQ303 4.8 10.8 1.0
CA A:HIS116 4.8 8.0 1.0
HE2 A:HIS116 4.9 14.2 1.0
HD1 A:HIS179 4.9 13.3 1.0
O03 A:XCQ303 4.9 14.9 1.0
HD1 A:HIS114 4.9 10.0 1.0
O A:HOH544 4.9 14.1 0.9
H062 A:XCQ303 4.9 21.6 1.0
HG3 A:ARG119 4.9 8.8 1.0

Zinc binding site 2 out of 2 in 8p9t

Go back to Zinc Binding Sites List in 8p9t
Zinc binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:8.9
occ:0.81
O A:HOH470 2.0 9.6 1.0
NE2 A:HIS240 2.1 9.7 1.0
O15 A:XCQ303 2.1 11.0 1.0
SG A:CYS198 2.3 9.2 1.0
OD2 A:ASP118 2.4 10.1 1.0
H121 A:XCQ303 2.7 12.3 1.0
CD2 A:HIS240 3.0 9.9 1.0
C14 A:XCQ303 3.1 10.8 1.0
HB3 A:CYS198 3.1 11.8 1.0
HD2 A:HIS240 3.1 11.9 1.0
CE1 A:HIS240 3.2 10.4 1.0
N12 A:XCQ303 3.2 10.3 1.0
HH21 A:ARG119 3.3 12.1 1.0
CB A:CYS198 3.3 9.8 1.0
CG A:ASP118 3.4 9.2 1.0
C13 A:XCQ303 3.4 10.7 1.0
HE1 A:HIS240 3.4 12.5 1.0
HE A:ARG119 3.5 9.7 1.0
ZN A:ZN301 3.5 9.4 0.9
HE1 A:HIS114 3.6 9.9 1.0
OD1 A:ASP118 3.7 10.4 1.0
HB2 A:CYS198 3.7 11.8 1.0
NH2 A:ARG119 3.9 10.1 1.0
H021 A:XCQ303 4.1 14.3 1.0
NE2 A:HIS179 4.1 10.0 1.0
NE A:ARG119 4.2 8.1 1.0
HE1 A:HIS179 4.2 12.9 1.0
CG A:HIS240 4.2 9.7 1.0
ND1 A:HIS240 4.2 10.2 1.0
O16 A:XCQ303 4.2 12.8 1.0
CE1 A:HIS114 4.2 8.2 1.0
CE1 A:HIS179 4.3 10.8 1.0
O A:HOH497 4.3 8.7 0.6
C11 A:XCQ303 4.3 10.5 1.0
NE2 A:HIS114 4.4 8.9 1.0
CZ A:ARG119 4.4 8.4 1.0
HH22 A:ARG119 4.5 12.1 1.0
HA A:CYS198 4.5 11.3 1.0
H191 A:XCQ303 4.5 17.5 1.0
CA A:CYS198 4.5 9.4 1.0
C17 A:XCQ303 4.6 11.2 1.0
HA3 A:GLY239 4.6 10.9 1.0
CB A:ASP118 4.7 8.8 1.0
HB2 A:ASP118 4.7 10.6 1.0
CD2 A:HIS179 4.9 9.8 1.0
HB3 A:ASP118 4.9 10.6 1.0

Reference:

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2483 To Be Published.
Page generated: Thu Oct 31 09:16:05 2024

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