Molybdenum in PDB 1ffv: Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava

The structure of Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava, PDB code: 1ffv was solved by P.Haenzelmann, H.Dobbek, L.Gremer, R.Huber, O.Meyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.373, 193.793, 218.755, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.7

The structure of Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Molybdenum atom in the Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava (pdb code 1ffv). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava, PDB code: 1ffv:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo1920 b:37.6 occ:1.00 MO B:PCD1920 0.0 37.6 1.0 OM1 B:PCD1920 1.6 37.0 1.0 OM2 B:PCD1920 1.9 37.3 1.0 S7' B:PCD1920 2.3 37.3 1.0 OR1 B:PCD1920 2.3 36.7 1.0 S8' B:PCD1920 2.6 36.6 1.0 O B:HOH2391 3.2 45.6 1.0 C7' B:PCD1920 3.3 35.7 1.0 C8' B:PCD1920 3.4 35.3 1.0 OE2 B:GLU757 3.5 28.6 1.0 N B:GLY563 3.7 26.4 1.0 N B:GLY269 3.7 26.0 1.0 CA B:GLY269 3.8 26.3 1.0 O B:HOH2389 3.8 19.5 1.0 CA B:TYR562 3.8 26.0 1.0 CB B:TYR562 4.0 26.2 1.0 C B:PHE268 4.2 26.1 1.0 CD B:GLU757 4.2 28.1 1.0 N B:ARO384 4.3 25.1 1.0 C B:TYR562 4.3 26.0 1.0 SE B:CSZ385 4.3 27.3 0.5 CA B:ARO384 4.4 25.5 1.0 NE2 B:GLN237 4.5 24.2 1.0 O B:PHE268 4.6 26.3 1.0 C6' B:PCD1920 4.7 35.3 1.0 CA B:GLY563 4.7 26.3 1.0 CA B:PHE268 4.8 25.9 1.0 CG B:GLU757 4.8 27.0 1.0 C9' B:PCD1920 4.9 34.1 1.0 OE1 B:GLU757 4.9 29.4 1.0

Molybdenum binding site 2 out of 2 in the Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Carbon Monoxide Dehydrogenase From Hydrogenophaga Pseudoflava within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo1921 b:37.9 occ:1.00 MO E:PCD1921 0.0 37.9 1.0 OM1 E:PCD1921 1.7 38.5 1.0 OM2 E:PCD1921 1.8 38.9 1.0 OR1 E:PCD1921 2.3 38.0 1.0 S7' E:PCD1921 2.3 37.4 1.0 S8' E:PCD1921 2.5 37.4 1.0 C7' E:PCD1921 3.3 35.3 1.0 O E:HOH2367 3.3 38.7 1.0 C8' E:PCD1921 3.4 35.5 1.0 OE2 E:GLU757 3.4 26.5 1.0 N E:GLY269 3.6 27.4 1.0 CA E:GLY269 3.7 27.7 1.0 N E:GLY563 3.8 26.5 1.0 CA E:TYR562 3.9 26.2 1.0 CB E:TYR562 4.0 26.9 1.0 C E:PHE268 4.2 26.9 1.0 O E:HOH2087 4.2 41.5 1.0 CD E:GLU757 4.2 26.9 1.0 N E:ARO384 4.3 26.9 1.0 C E:TYR562 4.4 26.1 1.0 CA E:ARO384 4.4 27.5 1.0 SE E:CSZ385 4.5 35.3 1.0 NE2 E:GLN237 4.6 22.9 1.0 C6' E:PCD1921 4.7 34.8 1.0 O E:PHE268 4.7 27.8 1.0 CA E:PHE268 4.8 26.5 1.0 CA E:GLY563 4.8 25.9 1.0 C9' E:PCD1921 4.8 33.6 1.0 CG E:GLU757 4.8 26.7 1.0

P.Hanzelmann, H.Dobbek, L.Gremer, R.Huber, O.Meyer. The Effect of Intracellular Molybdenum in Hydrogenophaga Pseudoflava on the Crystallographic Structure of the Seleno-Molybdo-Iron-Sulfur Flavoenzyme Carbon Monoxide Dehydrogenase. J.Mol.Biol. V. 301 1221 2000.
ISSN: ISSN 0022-2836
PubMed: 10966817
DOI: 10.1006/JMBI.2000.4023