Molybdenum in PDB 3ax9: Bovine Xanthine Oxidase, Protease Cleaved Form

All present enzymatic activity of Bovine Xanthine Oxidase, Protease Cleaved Form:
1.17.1.4; 1.17.3.2;

The structure of Bovine Xanthine Oxidase, Protease Cleaved Form, PDB code: 3ax9 was solved by H.Ishikita, B.T.Eger, E.F.Pai, K.Okamoto, T.Nishino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.13 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	133.196, 72.966, 142.261, 90.00, 98.84, 90.00
R / Rfree (%)	21.5 / 27.9

The structure of Bovine Xanthine Oxidase, Protease Cleaved Form also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Iron	(Fe)	8 atoms

The binding sites of Molybdenum atom in the Bovine Xanthine Oxidase, Protease Cleaved Form (pdb code 3ax9). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Bovine Xanthine Oxidase, Protease Cleaved Form, PDB code: 3ax9:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Bovine Xanthine Oxidase, Protease Cleaved Form


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Bovine Xanthine Oxidase, Protease Cleaved Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo3003 b:23.2 occ:1.00 MO A:XAX3003 0.0 23.2 1.0 O1 A:XAX3003 2.0 26.3 1.0 O2 A:XAX3003 2.0 25.7 1.0 S3 A:XAX3003 2.3 33.5 1.0 S1' A:XAX3003 2.3 20.9 1.0 S2' A:XAX3003 2.4 23.0 1.0 C2' A:XAX3003 3.3 20.1 1.0 C1' A:XAX3003 3.3 20.4 1.0 CA A:GLY799 3.8 13.7 1.0 N A:GLY799 3.9 12.9 1.0 OE2 A:GLU1261 3.9 20.5 1.0 CD A:GLU1261 4.2 21.5 1.0 N A:ALA1079 4.2 18.8 1.0 CB A:ALA1078 4.4 19.7 1.0 CA A:ALA1078 4.4 19.9 1.0 C A:PHE798 4.4 12.2 1.0 NE2 A:GLN767 4.5 20.9 1.0 CA A:ARG912 4.6 17.4 1.0 OE2 A:GLU802 4.6 34.9 1.0 N A:ARG912 4.6 17.3 1.0 CG A:GLU1261 4.6 22.1 1.0 C3' A:XAX3003 4.7 21.8 1.0 O A:PHE798 4.7 12.3 1.0 C6 A:XAX3003 4.8 20.7 1.0 OE1 A:GLU1261 4.8 26.5 1.0 C A:ALA1078 4.9 19.2 1.0 O A:THR1077 4.9 20.8 1.0

Molybdenum binding site 2 out of 2 in the Bovine Xanthine Oxidase, Protease Cleaved Form


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Bovine Xanthine Oxidase, Protease Cleaved Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo3003 b:25.9 occ:1.00 MO B:XAX3003 0.0 25.9 1.0 O2 B:XAX3003 2.0 30.6 1.0 O1 B:XAX3003 2.1 26.4 1.0 S3 B:XAX3003 2.3 33.3 1.0 S1' B:XAX3003 2.3 24.3 1.0 S2' B:XAX3003 2.4 24.8 1.0 C2' B:XAX3003 3.3 23.7 1.0 C1' B:XAX3003 3.3 24.0 1.0 O B:HOH1556 3.7 27.2 1.0 CA B:GLY799 4.0 17.8 1.0 N B:GLY799 4.2 18.0 1.0 OE2 B:GLU1261 4.2 24.0 1.0 N B:ALA1079 4.2 22.2 1.0 CD B:GLU1261 4.2 26.4 1.0 CA B:ALA1078 4.3 22.4 1.0 C B:PHE798 4.3 18.5 1.0 O B:PHE798 4.3 18.1 1.0 CB B:ALA1078 4.4 23.1 1.0 OE2 B:GLU802 4.5 35.2 1.0 NE2 B:GLN767 4.5 22.9 1.0 OE1 B:GLU1261 4.6 29.7 1.0 CG B:GLU1261 4.7 23.2 1.0 CA B:ARG912 4.7 20.7 1.0 C3' B:XAX3003 4.7 25.5 1.0 N B:ARG912 4.7 20.4 1.0 C6 B:XAX3003 4.7 23.7 1.0 C B:ALA1078 4.8 22.3 1.0 O B:THR1077 4.8 22.2 1.0

H.Ishikita, B.T.Eger, K.Okamoto, T.Nishino, E.F.Pai. Protein Conformational Gating of Enzymatic Activity in Xanthine Oxidoreductase J.Am.Chem.Soc. V. 134 999 2012.
ISSN: ISSN 0002-7863
PubMed: 22145797
DOI: 10.1021/JA207173P