Chlorine 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:

Zinc (Zn) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6v61

Go back to Chlorine Binding Sites List in 6v61
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl309

b:54.6
occ:1.00
 N A:SER119 2.9 21.8 1.0
CA A:HIS118 3.6 18.7 1.0
OG A:SER119 3.6 28.0 1.0
CB A:SER119 3.6 23.4 1.0
CB A:HIS118 3.6 19.7 1.0
CD2 A:HIS118 3.7 24.6 1.0
C A:HIS118 3.7 19.6 1.0
CG A:HIS118 3.8 18.6 1.0
CA A:SER119 3.9 20.9 1.0
C3 A:X8Z304 4.3 37.5 1.0
NE2 A:HIS118 4.7 25.0 1.0
O A:ALA117 4.8 27.0 1.0
N A:HIS118 4.9 19.0 1.0
CD1 A:LEU150 4.9 25.5 1.0
C1 A:X8Z304 4.9 24.9 1.0
O A:HIS118 4.9 20.0 1.0
ND1 A:HIS118 5.0 18.9 1.0

Chlorine binding site 2 out of 4 in 6v61

Go back to Chlorine Binding Sites List in 6v61
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl310

b:44.0
occ:1.00
 O A:HOH546 3.0 41.4 1.0
N A:ALA92 3.2 21.6 1.0
CB A:ALA92 3.6 27.5 1.0
N A:ASP91 3.6 22.9 1.0
CG A:ASN90 3.7 26.7 1.0
CB A:ASN90 3.7 23.1 1.0
OD1 A:ASN90 3.8 25.9 1.0
CB A:ASP91 3.9 22.4 1.0
O A:HOH502 3.9 26.6 1.0
CA A:ALA92 4.0 25.1 1.0
CA A:ASP91 4.1 24.0 1.0
C A:ASP91 4.1 20.9 1.0
ND2 A:ASN90 4.2 29.7 1.0
O A:HOH435 4.2 49.7 1.0
C A:ASN90 4.4 22.3 1.0
CA A:ASN90 4.6 22.7 1.0
CG A:ASP91 4.9 27.9 1.0

Chlorine binding site 3 out of 4 in 6v61

Go back to Chlorine Binding Sites List in 6v61
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl311

b:26.5
occ:0.37
 O A:HOH464 3.3 27.6 1.0
NZ A:LYS154 3.3 33.0 1.0
CG A:LYS154 4.0 23.6 1.0
CD A:LYS154 4.0 26.0 1.0
CE A:LYS154 4.2 31.0 1.0
CB A:LYS154 4.5 24.2 1.0
O A:HOH466 4.6 30.2 1.0

Chlorine binding site 4 out of 4 in 6v61

Go back to Chlorine Binding Sites List in 6v61
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl312

b:33.9
occ:1.00
 O A:HOH430 3.2 29.5 1.0
N A:LYS243 3.2 25.0 1.0
CA A:GLY242 3.7 23.7 1.0
CB A:PRO203 3.8 34.4 1.0
CG A:LYS243 3.9 34.4 1.0
CB A:LYS243 3.9 31.0 1.0
C A:GLY242 4.0 25.2 1.0
N A:GLY204 4.0 27.8 1.0
CA A:LYS243 4.2 24.9 1.0
O A:HOH550 4.2 35.2 1.0
CA A:GLY204 4.2 33.0 1.0
C A:PRO203 4.4 28.8 1.0
O A:HOH497 4.5 37.9 1.0
CA A:PRO203 4.5 25.7 1.0
CD A:LYS243 4.6 49.0 1.0
O A:LYS243 4.7 26.7 1.0
CG A:PRO203 4.9 30.8 1.0
C A:LYS243 5.0 25.4 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: Sat Dec 12 14:13:41 2020

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