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Zinc in PDB 7ayj: Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor.

Protein crystallography data

The structure of Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor., PDB code: 7ayj was solved by A.J.M.Farley, I.Ermolovich, K.Calvopina, P.Rabe, J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.19 / 1.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.533, 67.43, 40.267, 90, 93.51, 90
R / Rfree (%) 17 / 19.5

Other elements in 7ayj:

The structure of Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor. also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor. (pdb code 7ayj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor., PDB code: 7ayj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7ayj

Go back to Zinc Binding Sites List in 7ayj
Zinc binding site 1 out of 2 in the Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:16.5
occ:0.75
H7 A:S9N303 1.6 19.9 0.8
NE2 A:HIS179 2.1 17.2 1.0
ND1 A:HIS116 2.1 17.6 1.0
N1 A:S9N303 2.2 16.6 0.8
NE2 A:HIS114 2.2 17.4 1.0
H8 A:S9N303 2.8 19.9 0.8
O2 A:S9N303 2.8 19.1 0.8
S A:S9N303 2.9 18.4 0.8
HB2 A:HIS116 2.9 16.0 1.0
CD2 A:HIS179 3.0 16.2 1.0
CE1 A:HIS116 3.0 18.2 1.0
CE1 A:HIS179 3.0 16.9 1.0
CG A:HIS116 3.1 15.2 1.0
CE1 A:HIS114 3.1 12.8 1.0
OD1 A:CYS198 3.1 21.7 0.2
CD2 A:HIS114 3.1 15.0 1.0
HD2 A:HIS179 3.2 19.4 1.0
HE1 A:HIS116 3.2 21.9 1.0
HE1 A:HIS179 3.2 20.2 1.0
HD2 A:HIS114 3.3 18.0 1.0
HE1 A:HIS114 3.3 15.4 1.0
CB A:HIS116 3.4 13.3 1.0
ZN A:ZN302 3.6 16.5 0.8
O3 A:S9N303 3.6 21.2 0.8
HB3 A:HIS116 3.7 16.0 1.0
HB3 A:CYS198 3.8 21.4 0.2
HB2 A:CYS198 3.9 21.9 0.8
O1 A:S9N303 3.9 16.0 0.8
OD1 A:ASP118 4.0 19.4 1.0
HB3 A:CYS198 4.1 21.9 0.8
ND1 A:HIS179 4.1 16.9 1.0
CG A:HIS179 4.1 15.4 1.0
NE2 A:HIS116 4.1 18.1 1.0
HB2 A:CYS198 4.1 21.4 0.2
H A:S9N303 4.1 19.2 0.8
CD2 A:HIS116 4.2 18.7 1.0
ND1 A:HIS114 4.2 14.3 1.0
SG A:CYS198 4.2 16.7 0.8
CB A:CYS198 4.2 18.2 0.8
CG A:HIS114 4.2 13.1 1.0
CB A:CYS198 4.3 17.8 0.2
SG A:CYS198 4.3 13.2 0.2
HD22 A:ASN210 4.4 41.9 1.0
N A:S9N303 4.4 18.5 0.8
H A:HIS116 4.5 13.5 1.0
C A:S9N303 4.7 17.0 0.8
HD2 A:CYS198 4.7 26.8 0.2
OD2 A:ASP118 4.7 18.7 1.0
HE A:ARG119 4.8 15.4 1.0
CG A:ASP118 4.8 15.4 1.0
HB3 A:SER180 4.8 19.6 1.0
HG2 A:ARG119 4.8 13.2 1.0
CA A:HIS116 4.8 12.2 1.0
HD1 A:HIS179 4.9 20.3 1.0
HE2 A:HIS116 4.9 21.7 1.0
HD1 A:HIS114 5.0 17.2 1.0
HG3 A:ARG119 5.0 13.2 1.0
C1 A:S9N303 5.0 17.8 0.8

Zinc binding site 2 out of 2 in 7ayj

Go back to Zinc Binding Sites List in 7ayj
Zinc binding site 2 out of 2 in the Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Metallo Beta-Lactamse Vim-1 with A Sulfamoyl Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:16.5
occ:0.75
HD2 A:CYS198 1.6 26.8 0.2
OD1 A:CYS198 1.8 21.7 0.2
H8 A:S9N303 1.9 19.9 0.8
N1 A:S9N303 1.9 16.6 0.8
H7 A:S9N303 2.0 19.9 0.8
OD2 A:CYS198 2.0 22.4 0.2
O1 A:S9N303 2.0 16.0 0.8
NE2 A:HIS240 2.1 13.3 0.8
SG A:CYS198 2.2 16.7 0.8
SG A:CYS198 2.5 13.2 0.2
OD2 A:ASP118 2.6 18.7 1.0
H A:S9N303 2.7 19.2 0.8
C A:S9N303 3.0 17.0 0.8
CD2 A:HIS240 3.0 13.0 0.8
S A:S9N303 3.1 18.4 0.8
N A:S9N303 3.1 18.5 0.8
HB2 A:CYS198 3.1 21.4 0.2
HD2 A:HIS240 3.1 15.5 0.8
HB3 A:CYS198 3.2 21.9 0.8
CE1 A:HIS240 3.2 14.4 0.8
C1 A:S9N303 3.2 17.8 0.8
HH21 A:ARG119 3.2 17.9 1.0
CB A:CYS198 3.3 18.2 0.8
CB A:CYS198 3.3 17.8 0.2
HE1 A:HIS240 3.4 17.2 0.8
CG A:ASP118 3.5 15.4 1.0
ZN A:ZN301 3.6 16.5 0.8
HE A:ARG119 3.7 15.4 1.0
OD1 A:ASP118 3.8 19.4 1.0
HE1 A:HIS114 3.8 15.4 1.0
HB2 A:CYS198 3.8 21.9 0.8
O2 A:S9N303 3.9 19.1 0.8
HB3 A:CYS198 3.9 21.4 0.2
HD2 A:HIS240 3.9 21.0 0.2
NH2 A:ARG119 3.9 15.0 1.0
O3 A:S9N303 4.1 21.2 0.8
C10 A:S9N303 4.1 24.7 0.8
O A:HOH549 4.2 19.6 1.0
O A:S9N303 4.2 18.2 0.8
HE1 A:HIS179 4.2 20.2 1.0
CG A:HIS240 4.2 14.5 0.8
ND1 A:HIS240 4.2 14.3 0.8
NE2 A:HIS179 4.2 17.2 1.0
C2 A:S9N303 4.3 19.4 0.8
CE1 A:HIS179 4.3 16.9 1.0
HH22 A:ARG119 4.4 17.9 1.0
NE A:ARG119 4.4 12.9 1.0
CE1 A:HIS114 4.4 12.8 1.0
HA A:CYS198 4.4 18.0 0.8
H4 A:S9N303 4.5 32.1 0.8
NE2 A:HIS114 4.5 17.4 1.0
CA A:CYS198 4.5 15.1 0.8
CA A:CYS198 4.6 15.2 0.2
CZ A:ARG119 4.6 12.9 1.0
HA3 A:GLY239 4.6 16.8 1.0
H6 A:S9N303 4.7 29.7 0.8
C9 A:S9N303 4.7 21.8 0.8
CD2 A:HIS240 4.8 17.5 0.2
HB3 A:HIS240 4.8 24.2 0.2
CB A:ASP118 4.9 14.3 1.0

Reference:

A.J.M.Farley, A.J.M.Farley, I.Ermolovich, K.Calvopina, P.Rabe, J.Brem, C.J.Schofield. N/A N/A.
Page generated: Tue Oct 29 17:15:58 2024

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