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Nickel in PDB 1ubl: Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F

Enzymatic activity of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F

All present enzymatic activity of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F:
1.12.2.1;

Protein crystallography data

The structure of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F, PDB code: 1ubl was solved by H.Ogata, Y.Mizoguchi, N.Mizuno, K.Miki, S.Adachi, N.Yasuoka, T.Yagi, O.Yamauchi, S.Hirota, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 97.810, 125.500, 66.590, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 16.3

Other elements in 1ubl:

The structure of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Iron (Fe) 12 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F (pdb code 1ubl). 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 Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F, PDB code: 1ubl:

Nickel binding site 1 out of 1 in 1ubl

Go back to Nickel Binding Sites List in 1ubl
Nickel binding site 1 out of 1 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni1004

b:11.5
occ:1.00
 NI L:FNE1004 0.0 11.5 1.0
C L:CMO1006 1.8 14.4 0.9
SG L:CYS81 2.3 11.0 1.0
SG L:CYS84 2.3 10.4 1.0
SG L:CYS546 2.3 15.6 1.0
SG L:CYS549 2.4 10.4 1.0
FE L:FNE1004 2.6 9.9 1.0
O L:CMO1006 2.8 22.9 0.9
CB L:CYS81 3.1 10.4 1.0
CB L:CYS546 3.3 11.4 1.0
CB L:CYS84 3.4 10.9 1.0
CB L:CYS549 3.5 9.7 1.0
C1 L:FNE1004 3.6 10.4 1.0
N L:CYS84 3.7 10.6 1.0
C2 L:FNE1004 3.8 10.4 1.0
CA L:CYS84 4.1 10.3 1.0
C3 L:FNE1004 4.3 10.0 1.0
O1 L:FNE1004 4.5 13.4 1.0
CA L:CYS549 4.5 9.9 1.0
CA L:CYS81 4.6 9.4 1.0
N L:CYS549 4.6 10.5 1.0
NH1 L:ARG479 4.6 12.2 1.0
CB L:VAL83 4.7 10.7 1.0
CD L:ARG479 4.7 10.8 1.0
CA L:CYS546 4.8 10.8 1.0
O2 L:FNE1004 4.8 12.4 1.0
C L:VAL83 4.9 9.8 1.0
NE L:ARG479 4.9 10.4 1.0
CZ L:ARG479 4.9 11.3 1.0
C L:CYS84 4.9 10.1 1.0

Reference:

H.Ogata, Y.Mizoguchi, N.Mizuno, K.Miki, S.Adachi, N.Yasuoka, T.Yagi, O.Yamauchi, S.Hirota, Y.Higuchi. Structural Studies of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulfovibrio Vulgaris Miyazaki F: Suggestion For the Initial Activation Site For Dihydrogen J.Am.Chem.Soc. V. 124 11628 2002.
ISSN: ISSN 0002-7863
PubMed: 12296727
DOI: 10.1021/JA012645K
Page generated: Wed Oct 9 16:28:06 2024

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