Magnesium in PDB 7vxq: The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77

All present enzymatic activity of The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77:
1.12.99.6;

The structure of The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77, PDB code: 7vxq was solved by K.Nishikawa, K.Higuchi, T.Imanishi, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.49 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.39, 122.32, 99.91, 90, 103.12, 90
R / Rfree (%)	16.1 / 19.3

The structure of The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Iron	(Fe)	24 atoms

The binding sites of Magnesium atom in the The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 (pdb code 7vxq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77, PDB code: 7vxq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:25.3 occ:1.00 O A:HOH839 2.0 26.2 1.0 O A:HOH822 2.1 24.6 1.0 O A:ALA498 2.1 27.0 1.0 O A:HOH838 2.1 26.2 1.0 OE2 A:GLU42 2.2 26.9 1.0 NE2 A:HIS552 2.2 25.7 1.0 CD A:GLU42 3.1 27.8 1.0 CE1 A:HIS552 3.2 24.9 1.0 CD2 A:HIS552 3.2 26.6 1.0 C A:ALA498 3.3 23.9 1.0 OE1 A:GLU42 3.5 30.8 1.0 N A:ALA498 3.7 23.0 1.0 OE1 A:GLN497 3.9 31.4 1.0 CA A:ALA498 4.0 25.8 1.0 OE1 A:GLU329 4.0 34.5 1.0 OE2 A:GLU329 4.2 34.6 1.0 O A:HOH926 4.2 24.3 1.0 O A:HOH843 4.3 30.6 1.0 ND1 A:HIS552 4.3 25.9 1.0 N A:VAL499 4.3 26.1 1.0 CG A:HIS552 4.4 24.7 1.0 NZ A:LYS366 4.4 29.7 1.0 CG A:GLU42 4.5 29.4 1.0 CB A:ALA498 4.5 25.6 1.0 CD A:GLU329 4.5 32.0 1.0 CD A:LYS366 4.6 27.9 1.0 C A:GLN497 4.7 25.2 1.0 CA A:VAL499 4.7 26.7 1.0 CE A:LYS366 4.8 31.6 1.0 CA A:GLN497 4.9 26.7 1.0 CD A:GLN497 5.0 26.1 1.0

Magnesium binding site 2 out of 2 in the The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Carbon Monoxide Complex of [Nife]-Hydrogenase (Hyb-Type) From Citrobacter Sp. S-77 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:26.0 occ:1.00 O C:HOH814 2.0 27.6 1.0 O C:HOH851 2.1 25.6 1.0 O C:ALA498 2.1 26.2 1.0 OE2 C:GLU42 2.1 26.4 1.0 O C:HOH877 2.1 27.9 1.0 NE2 C:HIS552 2.3 27.6 1.0 CD C:GLU42 3.1 27.0 1.0 CE1 C:HIS552 3.2 29.6 1.0 CD2 C:HIS552 3.2 25.4 1.0 C C:ALA498 3.3 22.6 1.0 OE1 C:GLU42 3.4 30.9 1.0 N C:ALA498 3.7 28.4 1.0 OE1 C:GLN497 3.8 35.3 1.0 CA C:ALA498 4.0 27.4 1.0 OE2 C:GLU329 4.1 33.9 1.0 OE1 C:GLU329 4.2 34.6 1.0 O C:HOH821 4.3 30.4 1.0 NZ C:LYS366 4.3 31.0 1.0 O C:HOH890 4.3 26.6 1.0 ND1 C:HIS552 4.4 30.3 1.0 N C:VAL499 4.4 24.5 1.0 CG C:HIS552 4.4 28.4 1.0 CG C:GLU42 4.4 28.6 1.0 CB C:ALA498 4.5 25.4 1.0 CD C:LYS366 4.6 32.4 1.0 CD C:GLU329 4.6 31.9 1.0 C C:GLN497 4.7 29.2 1.0 CA C:VAL499 4.7 26.4 1.0 CE C:LYS366 4.8 33.8 1.0 CA C:GLN497 4.8 27.8 1.0 CD C:GLN497 4.9 32.1 1.0

T.Imanishi, K.Nishikawa, M.Taketa, K.Higuchi, H.Tai, S.Hirota, H.Hojo, T.Kawakami, K.Hataguchi, K.Matsumoto, H.Ogata, Y.Higuchi. Structural and Spectroscopic Characterization of Co Inhibition of [Nife]-Hydrogenase From Citrobacter Sp. S-77. Acta Crystallogr.,Sect.F V. 78 66 2022.
ISSN: ESSN 2053-230X
PubMed: 35102895
DOI: 10.1107/S2053230X22000188