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Nickel in PDB 3zea: 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms

Enzymatic activity of 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms

All present enzymatic activity of 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms:
1.12.7.2;

Protein crystallography data

The structure of 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms, PDB code: 3zea 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) 56.55 / 1.82
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 61.796, 61.796, 339.297, 90.00, 90.00, 120.00
R / Rfree (%) 12.4 / 14.7

Other elements in 3zea:

The structure of 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms also contains other interesting chemical elements:

Iron (Fe) 14 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms (pdb code 3zea). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms, PDB code: 3zea:

Nickel binding site 1 out of 1 in 3zea

Go back to Nickel Binding Sites List in 3zea
Nickel binding site 1 out of 1 in the 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of 3D Structure of the Nifese Hydrogenase From D. Vulgaris Hildenborough in the Reduced State at 1.82 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni501

b:16.0
occ:1.00
 SG B:OCS75 2.2 15.6 1.0
SG B:CYS78 2.3 11.9 1.0
SE B:SEC489 2.4 18.5 0.9
SG B:CYS492 2.4 11.0 1.0
FE B:FCO500 2.5 12.5 1.0
SD B:SEC489 2.6 31.8 0.1
SE B:SEC489 2.8 21.1 0.1
OD1 B:OCS75 3.0 17.5 1.0
CB B:OCS75 3.1 10.8 1.0
OD3 B:OCS75 3.2 17.1 1.0
HB3 B:CYS78 3.4 14.3 1.0
C1 B:FCO500 3.4 15.2 1.0
CB B:SEC489 3.4 14.1 0.1
HB2 B:CYS492 3.5 11.5 1.0
CB B:SEC489 3.5 18.3 0.9
C2 B:FCO500 3.5 12.2 1.0
CB B:CYS78 3.5 12.0 1.0
H B:CYS78 3.6 12.1 1.0
CB B:CYS492 3.6 9.7 1.0
H B:CYS492 3.8 12.0 1.0
HD2 B:ARG422 3.8 15.5 1.0
HB B:VAL77 4.0 11.9 1.0
C3 B:FCO500 4.2 13.2 1.0
N B:CYS78 4.2 10.1 1.0
HB2 B:CYS78 4.2 14.3 1.0
HE2 B:HIS82 4.3 11.7 1.0
HB3 B:CYS492 4.3 11.5 1.0
N1 B:FCO500 4.3 13.2 1.0
HH11 B:ARG422 4.4 16.3 1.0
N B:CYS492 4.4 10.0 1.0
CA B:CYS78 4.5 9.6 1.0
N2 B:FCO500 4.5 13.8 1.0
CA B:OCS75 4.5 8.2 1.0
CA B:CYS492 4.6 9.2 1.0
HG3 B:GLU28 4.6 16.0 1.0
CD B:ARG422 4.6 13.0 1.0
NH1 B:ARG422 4.7 13.7 1.0
HA B:CYS492 4.8 11.0 1.0
H B:VAL77 4.8 10.5 1.0
CA B:SEC489 4.8 12.7 0.1
HD3 B:ARG422 4.8 15.5 1.0
CA B:SEC489 4.8 11.7 0.9
HD2 B:HIS82 5.0 13.4 1.0
HB3 B:GLU28 5.0 14.9 1.0
CB B:VAL77 5.0 10.0 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 V. 38 8664 2013.
ISSN: ISSN 0360-3199
DOI: 10.1016/J.IJHYDENE.2013.04.132
Page generated: Wed Oct 9 17:55:43 2024

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