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Magnesium in PDB 5xvd: [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition

Protein crystallography data

The structure of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition, PDB code: 5xvd was solved by K.Nishikawa, H.Matsuura, N.D.Muhd Noor, H.Tai, S.Hirota, J.Kim, J.Kang, M.Tateno, K.S.Yoon, S.Ogo, Y.Shomura, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.72 / 1.57
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.940, 118.980, 96.810, 90.00, 100.57, 90.00
R / Rfree (%) 12.1 / 16.6

Other elements in 5xvd:

The structure of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition also contains other interesting chemical elements:

Nickel (Ni) 2 atoms
Iron (Fe) 32 atoms
Sodium (Na) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition (pdb code 5xvd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition, PDB code: 5xvd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5xvd

Go back to Magnesium Binding Sites List in 5xvd
Magnesium binding site 1 out of 2 in the [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mg601

b:10.8
occ:1.00
O L:HOH745 2.1 12.4 1.0
O L:HOH747 2.1 13.2 1.0
OE2 L:GLU42 2.1 12.2 1.0
O L:ALA498 2.2 12.3 1.0
NE2 L:HIS552 2.2 12.3 1.0
O L:HOH791 2.2 12.6 1.0
CE1 L:HIS552 3.1 12.3 1.0
CD L:GLU42 3.2 13.1 1.0
CD2 L:HIS552 3.2 11.9 1.0
C L:ALA498 3.3 11.6 1.0
OE1 L:GLU42 3.5 12.8 1.0
N L:ALA498 3.7 10.3 1.0
CA L:ALA498 4.0 11.3 1.0
OE1 L:GLN497 4.0 18.1 1.0
OE2 L:GLU329 4.1 19.2 1.0
OE1 L:GLU329 4.2 20.6 1.0
O L:HOH912 4.2 11.4 1.0
ND1 L:HIS552 4.2 11.8 1.0
O L:HOH778 4.3 15.0 1.0
CG L:HIS552 4.3 11.2 1.0
CB L:ALA498 4.4 12.3 1.0
N L:VAL499 4.4 10.6 1.0
NZ L:LYS366 4.4 13.9 1.0
CG L:GLU42 4.5 13.5 1.0
CD L:LYS366 4.6 13.8 1.0
CD L:GLU329 4.6 18.4 1.0
C L:GLN497 4.7 11.7 1.0
CA L:VAL499 4.7 11.0 1.0
CE L:LYS366 4.8 14.7 1.0
CA L:GLN497 4.9 11.3 1.0

Magnesium binding site 2 out of 2 in 5xvd

Go back to Magnesium Binding Sites List in 5xvd
Magnesium binding site 2 out of 2 in the [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 in An Air- Oxidized Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Mg601

b:13.0
occ:1.00
O M:HOH724 2.1 15.8 1.0
O M:HOH786 2.1 14.3 1.0
O M:HOH729 2.1 16.4 1.0
OE2 M:GLU42 2.1 15.1 1.0
O M:ALA498 2.2 13.8 1.0
NE2 M:HIS552 2.2 14.0 1.0
CE1 M:HIS552 3.1 13.7 1.0
CD M:GLU42 3.1 15.4 1.0
CD2 M:HIS552 3.2 12.6 1.0
C M:ALA498 3.3 13.5 1.0
OE1 M:GLU42 3.5 16.2 1.0
N M:ALA498 3.7 14.1 1.0
OE1 M:GLN497 4.0 19.5 1.0
CA M:ALA498 4.0 14.3 1.0
OE2 M:GLU329 4.1 23.7 1.0
OE1 M:GLU329 4.2 22.6 1.0
O M:HOH797 4.2 16.7 1.0
ND1 M:HIS552 4.3 15.2 1.0
O M:HOH830 4.3 15.2 1.0
CG M:HIS552 4.3 14.5 1.0
NZ M:LYS366 4.3 16.0 1.0
N M:VAL499 4.4 14.4 1.0
CB M:ALA498 4.4 14.1 1.0
CG M:GLU42 4.4 16.2 1.0
CD M:LYS366 4.5 16.9 1.0
CD M:GLU329 4.6 22.2 1.0
CA M:VAL499 4.7 12.8 1.0
C M:GLN497 4.7 14.3 1.0
CE M:LYS366 4.7 16.2 1.0
CA M:GLN497 4.9 13.2 1.0
CD M:GLN497 5.0 18.6 1.0

Reference:

N.D.M.Noor, H.Matsuura, K.Nishikawa, H.Tai, S.Hirota, J.Kim, J.Kang, M.Tateno, K.S.Yoon, S.Ogo, S.Kubota, Y.Shomura, Y.Higuchi. Redox-Dependent Conformational Changes of A Proximal [4FE-4S] Cluster in Hyb-Type [Nife]-Hydrogenase to Protect the Active Site From O2. Chem.Commun.(Camb.) V. 54 12385 2018.
ISSN: ESSN 1364-548X
PubMed: 30328414
DOI: 10.1039/C8CC06261G
Page generated: Mon Sep 30 10:36:34 2024

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