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Chlorine in PDB 3ze6: 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms

Enzymatic activity of 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms

All present enzymatic activity of 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms:
1.12.7.2;

Protein crystallography data

The structure of 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms, PDB code: 3ze6 was solved by M.C.Marques, R.Coelho, I.A.C.Pereira, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.51 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.170, 97.350, 102.970, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 15.4

Other elements in 3ze6:

The structure of 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms 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 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms (pdb code 3ze6). 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 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms, PDB code: 3ze6:

Chlorine binding site 1 out of 1 in 3ze6

Go back to Chlorine Binding Sites List in 3ze6
Chlorine binding site 1 out of 1 in the 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3D Structure of the Ni-Fe-Se Hydrogenase From D. Vulgaris Hildenborough in the As-Isolated Oxidized State at 1.50 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:7.8
occ:1.00
 HD21 B:ASN113 2.3 9.5 1.0
H B:ALA81 2.6 7.5 1.0
HE1 B:PHE110 2.7 9.7 1.0
HA B:CYS78 2.8 8.6 1.0
HB3 B:ALA81 3.0 8.6 1.0
HD3 B:PRO421 3.0 8.7 1.0
OG1 B:THR80 3.0 7.7 1.0
HB2 B:CYS78 3.0 7.8 1.0
ND2 B:ASN113 3.1 7.9 1.0
HD2 B:PRO421 3.2 8.7 1.0
N B:ALA81 3.2 6.3 1.0
HG2 B:PRO421 3.2 10.4 1.0
HG1 B:THR80 3.3 9.3 1.0
CD B:PRO421 3.4 7.2 1.0
HB3 B:ASN113 3.4 8.0 1.0
CA B:CYS78 3.5 7.2 1.0
HD22 B:ASN113 3.5 9.5 1.0
CE1 B:PHE110 3.6 8.0 1.0
H B:THR80 3.6 7.8 1.0
C B:CYS78 3.6 7.6 1.0
O B:CYS78 3.6 6.7 1.0
CG B:PRO421 3.6 8.6 1.0
CB B:ALA81 3.7 7.1 1.0
CB B:CYS78 3.7 6.5 1.0
HD1 B:PHE110 3.7 9.0 1.0
HB1 B:ALA81 3.8 8.6 1.0
HG3 B:PRO421 3.8 10.4 1.0
CA B:ALA81 4.0 5.8 1.0
N B:THR80 4.0 6.5 1.0
CB B:THR80 4.0 5.7 1.0
C B:THR80 4.0 7.2 1.0
CD1 B:PHE110 4.0 7.5 1.0
HB3 B:CYS78 4.1 7.8 1.0
CG B:ASN113 4.1 6.8 1.0
HB B:THR80 4.1 6.8 1.0
CA B:THR80 4.2 7.6 1.0
CB B:ASN113 4.2 6.7 1.0
HA B:ALA81 4.2 7.0 1.0
N B:PRO79 4.4 6.1 1.0
HB2 B:ALA81 4.5 8.6 1.0
HA B:ALA420 4.5 7.4 1.0
HB2 B:ASN113 4.6 8.0 1.0
O B:VAL77 4.6 7.4 1.0
HD2 B:PRO79 4.6 7.9 1.0
HB2 B:ALA420 4.7 9.0 1.0
CZ B:PHE110 4.7 6.6 1.0
N B:CYS78 4.8 7.3 1.0
C B:PRO79 4.8 7.3 1.0
N B:PRO421 4.8 6.7 1.0
HZ B:PHE110 4.8 7.9 1.0
HE2 B:MET183 4.8 8.0 1.0
HD1 B:TYR114 4.9 9.7 1.0

Reference:

M.C.Marques, R.Coelho, I.A.C.Pereira, P.M.Matias. Redox State-Dependent Changes in the Crystal Structure of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough Int.J.Hydrogen Energy 2013.
ISSN: ISSN 0360-3199
DOI: 10.1016/J.IJHYDENE.2013.04.132
Page generated: Fri Jul 11 12:14:04 2025

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