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Chlorine in PDB 6ruc: The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution

Enzymatic activity of The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution

All present enzymatic activity of The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution:
1.12.7.2;

Protein crystallography data

The structure of The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution, PDB code: 6ruc was solved by P.M.Matias, S.Zacarias, I.Pereita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.73 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.410, 63.589, 110.705, 90.00, 104.88, 90.00
R / Rfree (%) 12.8 / 14.8

Other elements in 6ruc:

The structure of The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Iron (Fe) 18 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution (pdb code 6ruc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution, PDB code: 6ruc:

Chlorine binding site 1 out of 1 in 6ruc

Go back to Chlorine Binding Sites List in 6ruc
Chlorine binding site 1 out of 1 in the The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 3D Structure of [Nifese] Hydrogenase G491S Variant From Desulfovibrio Vulgaris Hildenborough at 1.20 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:9.8
occ:1.00
 HD22 B:ASN113 2.3 11.1 1.0
H B:ALA81 2.6 10.2 1.0
HE1 B:PHE110 2.8 12.2 1.0
HA B:CYS78 2.8 10.7 1.0
HB1 B:ALA81 2.9 11.3 1.0
HD3 B:PRO421 3.0 10.9 1.0
OG1 B:THR80 3.0 9.7 1.0
HB2 B:CYS78 3.1 11.7 1.0
ND2 B:ASN113 3.1 9.2 1.0
HD2 B:PRO421 3.2 10.9 1.0
N B:ALA81 3.2 8.5 1.0
HG2 B:PRO421 3.3 11.6 1.0
HB3 B:ASN113 3.3 10.8 1.0
CD B:PRO421 3.4 9.1 1.0
CA B:CYS78 3.5 8.9 1.0
HD21 B:ASN113 3.5 11.1 1.0
CE1 B:PHE110 3.6 10.2 1.0
CB B:ALA81 3.6 9.4 1.0
H B:THR80 3.6 9.8 1.0
HD1 B:PHE110 3.6 12.1 1.0
C B:CYS78 3.6 8.8 1.0
O B:CYS78 3.7 9.5 1.0
CG B:PRO421 3.7 9.7 1.0
HB3 B:ALA81 3.7 11.3 1.0
CB B:CYS78 3.7 9.7 1.0
HG3 B:PRO421 3.9 11.6 1.0
CA B:ALA81 3.9 8.6 1.0
CB B:THR80 4.0 9.0 1.0
N B:THR80 4.0 8.1 1.0
C B:THR80 4.0 9.0 1.0
CD1 B:PHE110 4.0 10.1 1.0
CG B:ASN113 4.1 8.6 1.0
HB3 B:CYS78 4.1 11.7 1.0
HB B:THR80 4.1 10.8 1.0
CB B:ASN113 4.1 9.0 1.0
CA B:THR80 4.2 8.5 1.0
HA B:ALA81 4.2 10.3 1.0
N B:PRO79 4.4 8.5 1.0
HB2 B:ALA81 4.5 11.3 1.0
HA B:ALA420 4.5 11.5 1.0
HB2 B:ASN113 4.6 10.8 1.0
HD2 B:PRO79 4.6 10.4 1.0
O B:VAL77 4.7 9.0 1.0
HB2 B:ALA420 4.7 11.8 1.0
CZ B:PHE110 4.7 10.2 1.0
N B:CYS78 4.8 8.9 1.0
C B:PRO79 4.8 8.6 1.0
HZ B:PHE110 4.8 12.2 1.0
N B:PRO421 4.8 8.6 1.0
HD1 B:TYR114 4.8 13.1 1.0
HE2 B:MET183 4.8 12.4 1.0

Reference:

S.Zacarias, A.Temporao, M.Del Barrio, V.Fourmond, C.Leger, P.M.Matias, I.A.C.Pereira. A Hydrophilic Channel Is Involved in Oxidative Inactivation of A [Nifese] Hydrogenase Acs Catalysis 2019.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B02347
Page generated: Mon Jul 29 14:40:37 2024

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