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Zinc in PDB 6v61: Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril

Enzymatic activity of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril

All present enzymatic activity of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril, PDB code: 6v61 was solved by N.Maltseva, Y.Kim, S.Clancy, M.Endres, R.Mulligan, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.98 / 1.58
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 77.893, 77.893, 241.426, 90.00, 90.00, 120.00
R / Rfree (%) 16.7 / 19.5

Other elements in 6v61:

The structure of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril (pdb code 6v61). 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 Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril, PDB code: 6v61:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6v61

Go back to Zinc Binding Sites List in 6v61
Zinc binding site 1 out of 2 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril


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 Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:20.1
occ:1.00
 NE2 A:HIS116 2.0 18.4 1.0
NE2 A:HIS180 2.0 19.2 1.0
ND1 A:HIS118 2.1 18.9 1.0
S A:X8Z304 2.3 21.2 1.0
CD2 A:HIS116 2.9 20.0 1.0
CE1 A:HIS180 3.0 21.4 1.0
CE1 A:HIS116 3.0 21.1 1.0
CE1 A:HIS118 3.0 20.4 1.0
CD2 A:HIS180 3.1 18.8 1.0
CG A:HIS118 3.1 18.6 1.0
C1 A:X8Z304 3.2 24.9 1.0
CB A:HIS118 3.4 19.7 1.0
ZN A:ZN302 3.7 20.7 1.0
ND1 A:HIS116 4.1 18.0 1.0
CG A:HIS116 4.1 17.6 1.0
ND1 A:HIS180 4.1 23.0 1.0
SG A:CYS199 4.1 19.9 1.0
CB A:CYS199 4.1 18.3 1.0
NE2 A:HIS118 4.1 25.0 1.0
CG A:HIS180 4.2 18.8 1.0
CD2 A:HIS118 4.2 24.6 1.0
OD1 A:ASP120 4.2 19.1 1.0
C2 A:X8Z304 4.6 35.6 1.0
OD2 A:ASP120 4.8 21.5 1.0
CA A:HIS118 4.9 18.7 1.0
O1 A:X8Z304 4.9 47.7 1.0
O A:HOH426 4.9 33.2 1.0
CG A:ASP120 5.0 22.1 1.0

Zinc binding site 2 out of 2 in 6v61

Go back to Zinc Binding Sites List in 6v61
Zinc binding site 2 out of 2 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril


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 Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:20.7
occ:1.00
 OD2 A:ASP120 2.0 21.5 1.0
NE2 A:HIS241 2.1 21.3 1.0
SG A:CYS199 2.3 19.9 1.0
S A:X8Z304 2.3 21.2 1.0
CG A:ASP120 3.0 22.1 1.0
CE1 A:HIS241 3.0 24.3 1.0
CD2 A:HIS241 3.2 20.0 1.0
OD1 A:ASP120 3.3 19.1 1.0
C1 A:X8Z304 3.3 24.9 1.0
CB A:CYS199 3.4 18.3 1.0
ZN A:ZN301 3.7 20.1 1.0
C2 A:X8Z304 3.9 35.6 1.0
ND1 A:HIS241 4.1 21.9 1.0
CG A:HIS241 4.2 20.5 1.0
CB A:ASP120 4.3 17.7 1.0
O A:HOH539 4.3 23.6 1.0
CE1 A:HIS116 4.4 21.1 1.0
CB A:SER240 4.4 20.2 1.0
NE2 A:HIS116 4.4 18.4 1.0
C4 A:X8Z304 4.6 44.7 1.0
CA A:CYS199 4.6 19.4 1.0
NE2 A:HIS180 4.6 19.2 1.0
OG A:SER240 4.7 19.6 1.0
N A:X8Z304 4.8 47.6 1.0
CE1 A:HIS180 4.9 21.4 1.0
C7 A:X8Z304 4.9 49.9 1.0
CE A:LYS121 4.9 21.3 1.0

Reference:

N.Maltseva, Y.Kim, S.Clancy, M.Endres, R.Mulligan, A.Joachimiak. Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica in the Complex with the Inhibitor Captopril. To Be Published.
Page generated: Tue Oct 29 08:54:54 2024

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