Molybdenum in PDB 1n63: Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State

All present enzymatic activity of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State:
1.2.99.2;

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State, PDB code: 1n63 was solved by H.Dobbek, L.Gremer, R.Kiefersauer, R.Huber, O.Meyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.00 / 1.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.962, 131.270, 159.648, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.5

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State also contains other interesting chemical elements:

Iron	(Fe)	8 atoms
Copper	(Cu)	2 atoms

The binding sites of Molybdenum atom in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State (pdb code 1n63). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State, PDB code: 1n63:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo3921 b:11.1 occ:1.00 MO B:CUN3921 0.0 11.1 1.0 OM1 B:CUN3921 1.7 12.1 1.0 OM2 B:CUN3921 2.0 11.9 1.0 S B:CUN3921 2.3 11.6 1.0 S7' B:MCN3920 2.4 9.8 1.0 S8' B:MCN3920 2.4 9.6 1.0 OE2 B:GLU763 3.3 11.9 1.0 C7' B:MCN3920 3.3 10.6 1.0 C8' B:MCN3920 3.4 10.8 1.0 CU B:CUN3921 3.9 13.8 0.9 N B:GLY569 4.0 11.3 1.0 CA B:TYR568 4.0 12.1 1.0 CA B:GLY272 4.0 10.8 1.0 CD B:GLU763 4.0 10.7 1.0 N B:GLY272 4.0 10.4 1.0 CB B:TYR568 4.0 11.3 1.0 O B:HOH3969 4.1 11.4 1.0 O B:HOH4304 4.2 24.7 1.0 C B:PHE271 4.4 10.9 1.0 C B:TYR568 4.5 8.7 1.0 N B:ARG387 4.5 9.3 1.0 NE2 B:GLN240 4.6 11.3 1.0 CA B:ARG387 4.6 10.9 1.0 CG B:GLU763 4.6 12.3 1.0 OE1 B:GLU763 4.7 10.8 1.0 O B:PHE271 4.7 11.5 1.0 C6' B:MCN3920 4.8 10.6 1.0 C9' B:MCN3920 4.8 10.6 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Carbon Monoxide Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo4921 b:11.7 occ:1.00 MO E:CUN4921 0.0 11.7 1.0 OM1 E:CUN4921 1.7 10.7 1.0 OM2 E:CUN4921 2.0 15.0 1.0 S E:CUN4921 2.3 12.8 1.0 S7' E:MCN4920 2.4 10.1 1.0 S8' E:MCN4920 2.4 10.4 1.0 OE2 E:GLU763 3.3 13.0 1.0 C7' E:MCN4920 3.3 10.3 1.0 C8' E:MCN4920 3.4 10.9 1.0 CU E:CUN4921 3.9 14.6 0.9 N E:GLY569 4.0 11.8 1.0 N E:GLY272 4.0 11.5 1.0 CD E:GLU763 4.0 11.3 1.0 CA E:TYR568 4.0 12.6 1.0 CA E:GLY272 4.0 12.0 1.0 CB E:TYR568 4.1 12.3 1.0 O E:HOH5295 4.1 33.3 1.0 O E:HOH4927 4.2 11.5 1.0 C E:PHE271 4.4 11.0 1.0 N E:ARG387 4.5 10.2 1.0 C E:TYR568 4.5 12.4 1.0 NE2 E:GLN240 4.6 10.9 1.0 CA E:ARG387 4.6 9.7 1.0 CG E:GLU763 4.6 11.2 1.0 O E:PHE271 4.7 11.6 1.0 OE1 E:GLU763 4.7 11.6 1.0 C6' E:MCN4920 4.8 10.3 1.0 C9' E:MCN4920 4.8 11.4 1.0

H.Dobbek, L.Gremer, R.Kiefersauer, R.Huber, O.Meyer. Catalysis at A Dinuclear [Cusmo(=O)Oh] Cluster in A Co Dehydrogenase Resolved at 1.1-A Resolution Proc.Natl.Acad.Sci.Usa V. 99 15971 2002.
ISSN: ISSN 0027-8424
PubMed: 12475995
DOI: 10.1073/PNAS.212640899