Molybdenum in PDB 1n5w: Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form

All present enzymatic activity of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form:
1.2.99.2;

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form, PDB code: 1n5w 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)	18.00 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.295, 132.088, 159.825, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 17.1

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form 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); Oxidized Form (pdb code 1n5w). 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); Oxidized Form, PDB code: 1n5w:
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); Oxidized Form


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); Oxidized Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo3921 b:10.4 occ:1.00 MO B:CUM3921 0.0 10.4 1.0 OM1 B:CUM3921 1.7 9.6 1.0 OM2 B:CUM3921 1.9 11.3 1.0 S B:CUM3921 2.3 9.7 1.0 S7' B:MCN3920 2.5 8.2 1.0 S8' B:MCN3920 2.5 8.2 1.0 OE2 B:GLU763 3.1 10.1 1.0 C7' B:MCN3920 3.5 8.8 1.0 C8' B:MCN3920 3.5 8.8 1.0 CU B:CUM3921 3.7 12.1 0.9 N B:GLY569 3.9 9.5 1.0 O B:HOH4334 3.9 24.7 1.0 CD B:GLU763 3.9 9.3 1.0 CA B:TYR568 4.0 8.8 1.0 CA B:GLY272 4.1 8.6 1.0 N B:GLY272 4.1 8.2 1.0 CB B:TYR568 4.1 9.5 1.0 O B:HOH3970 4.3 9.2 1.0 C B:TYR568 4.5 8.7 1.0 C B:PHE271 4.5 9.4 1.0 N B:ARG387 4.5 8.4 1.0 NE2 B:GLN240 4.6 9.3 1.0 CG B:GLU763 4.6 10.6 1.0 CA B:ARG387 4.6 9.0 1.0 OE1 B:GLU763 4.6 10.1 1.0 O B:PHE271 4.8 10.3 1.0 C6' B:MCN3920 4.9 9.0 1.0 C9' B:MCN3920 5.0 8.9 1.0 CA B:GLY569 5.0 10.1 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Oxidized Form


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); Oxidized Form within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo4921 b:10.8 occ:1.00 MO E:CUM4921 0.0 10.8 1.0 OM1 E:CUM4921 1.8 10.8 1.0 OM2 E:CUM4921 1.9 10.9 1.0 S E:CUM4921 2.3 10.1 1.0 S7' E:MCN4920 2.5 8.4 1.0 S8' E:MCN4920 2.5 8.7 1.0 OE2 E:GLU763 3.2 11.6 1.0 C8' E:MCN4920 3.4 9.1 1.0 C7' E:MCN4920 3.5 8.8 1.0 CU E:CUM4921 3.7 12.6 0.9 O E:HOH5313 3.9 28.4 1.0 CD E:GLU763 4.0 10.0 1.0 N E:GLY569 4.0 9.9 1.0 CA E:GLY272 4.0 9.4 1.0 CA E:TYR568 4.0 8.8 1.0 N E:GLY272 4.0 9.7 1.0 CB E:TYR568 4.0 9.1 1.0 O E:HOH4926 4.3 10.2 1.0 C E:PHE271 4.4 10.1 1.0 C E:TYR568 4.5 10.1 1.0 N E:ARG387 4.6 10.3 1.0 CG E:GLU763 4.7 10.0 1.0 OE1 E:GLU763 4.7 10.2 1.0 NE2 E:GLN240 4.7 9.2 1.0 CA E:ARG387 4.7 7.7 1.0 O E:PHE271 4.7 10.4 1.0 C9' E:MCN4920 4.9 10.4 1.0 C6' E:MCN4920 4.9 9.4 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