Molybdenum in PDB 1n61: Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Dithionite Reduced State

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

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Dithionite Reduced State, PDB code: 1n61 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 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.162, 131.375, 160.318, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 18.4

The structure of Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Dithionite 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); Dithionite Reduced State (pdb code 1n61). 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); Dithionite Reduced State, PDB code: 1n61:
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); Dithionite 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); Dithionite Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo3921 b:9.6 occ:1.00 MO B:CUN3921 0.0 9.6 1.0 OM1 B:CUN3921 1.7 9.6 1.0 OM2 B:CUN3921 2.0 11.4 1.0 S B:CUN3921 2.3 9.3 1.0 S7' B:MCN3920 2.4 7.7 1.0 S8' B:MCN3920 2.4 7.5 1.0 OE2 B:GLU763 3.3 10.5 1.0 C7' B:MCN3920 3.3 9.9 1.0 C8' B:MCN3920 3.3 9.4 1.0 CD B:GLU763 3.9 10.3 1.0 CU B:CUN3921 3.9 11.9 0.9 N B:GLY569 3.9 9.5 1.0 CA B:TYR568 4.0 9.3 1.0 CB B:TYR568 4.0 10.2 1.0 CA B:GLY272 4.0 9.4 1.0 N B:GLY272 4.1 8.9 1.0 O B:HOH3970 4.2 10.4 1.0 O B:HOH4307 4.2 24.3 1.0 C B:PHE271 4.4 9.7 1.0 N B:ARG387 4.5 8.8 1.0 C B:TYR568 4.5 9.2 1.0 NE2 B:GLN240 4.6 9.3 1.0 CG B:GLU763 4.6 9.5 1.0 CA B:ARG387 4.6 10.0 1.0 OE1 B:GLU763 4.7 10.9 1.0 C6' B:MCN3920 4.7 12.2 1.0 C9' B:MCN3920 4.7 9.1 1.0 O B:PHE271 4.8 9.9 1.0 O B:HOH4410 5.0 32.0 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of the Cu,Mo-Co Dehydrogenase (Codh); Dithionite 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); Dithionite Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ E:Mo4921 b:10.6 occ:1.00 MO E:CUN4921 0.0 10.6 1.0 OM1 E:CUN4921 1.8 11.2 1.0 OM2 E:CUN4921 2.0 13.7 1.0 S E:CUN4921 2.3 10.4 1.0 S7' E:MCN4920 2.4 9.2 1.0 S8' E:MCN4920 2.4 8.9 1.0 OE2 E:GLU763 3.3 10.6 1.0 C7' E:MCN4920 3.3 9.2 1.0 C8' E:MCN4920 3.4 8.9 1.0 CU E:CUN4921 3.9 12.5 0.9 CA E:TYR568 4.0 9.4 1.0 CD E:GLU763 4.0 9.3 1.0 N E:GLY569 4.0 9.7 1.0 N E:GLY272 4.0 10.2 1.0 CB E:TYR568 4.0 9.8 1.0 CA E:GLY272 4.0 9.7 1.0 O E:HOH5292 4.1 27.2 1.0 O E:HOH4928 4.2 10.9 1.0 C E:PHE271 4.4 8.9 1.0 N E:ARG387 4.5 9.6 1.0 C E:TYR568 4.5 10.7 1.0 NE2 E:GLN240 4.6 10.1 1.0 CG E:GLU763 4.6 10.4 1.0 CA E:ARG387 4.6 8.1 1.0 OE1 E:GLU763 4.7 10.9 1.0 O E:PHE271 4.7 9.9 1.0 C6' E:MCN4920 4.8 9.9 1.0 C9' E:MCN4920 4.8 10.4 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