Molybdenum in PDB 3am9: Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051

All present enzymatic activity of Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051:
1.17.1.4; 1.17.3.2;

The structure of Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051, PDB code: 3am9 was solved by K.Matsumoto, K.Okamoto, N.Ashizawa, T.Matsumura, T.Kusano, T.Nishino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.44 / 2.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.916, 124.722, 146.195, 90.00, 91.04, 90.00
R / Rfree (%)	17.4 / 24.3

The structure of Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051 also contains other interesting chemical elements:

Iron	(Fe)	8 atoms
Calcium	(Ca)	4 atoms

The binding sites of Molybdenum atom in the Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051 (pdb code 3am9). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051, PDB code: 3am9:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1334 b:22.6 occ:1.00 MO A:MOS1334 0.0 22.6 1.0 O1 A:MOS1334 1.7 22.2 1.0 S2' A:MTE1333 2.3 19.9 1.0 NAA A:FYO1335 2.3 25.6 1.0 S A:MOS1334 2.4 24.6 1.0 S1' A:MTE1333 2.4 19.7 1.0 CAE A:FYO1335 2.9 30.5 1.0 C2' A:MTE1333 3.2 19.4 1.0 C1' A:MTE1333 3.3 18.3 1.0 OE2 A:GLU1261 3.9 19.6 1.0 CA A:GLY799 3.9 18.1 1.0 N A:ALA1079 4.0 19.1 1.0 N A:GLY799 4.1 19.6 1.0 CD A:GLU1261 4.2 22.2 1.0 CA A:ALA1078 4.3 19.9 1.0 NE2 A:GLN767 4.4 16.8 1.0 OE2 A:GLU802 4.4 25.7 1.0 CB A:ALA1078 4.4 19.9 1.0 C A:PHE798 4.5 20.1 1.0 CAR A:FYO1335 4.5 34.2 1.0 CG A:GLU1261 4.5 17.6 1.0 C3' A:MTE1333 4.6 19.8 1.0 O A:PHE798 4.6 20.0 1.0 C A:ALA1078 4.7 20.9 1.0 CA A:ARG912 4.7 21.6 1.0 C6 A:MTE1333 4.8 18.5 1.0 N A:ARG912 4.8 20.3 1.0 OE1 A:GLU1261 4.8 22.6 1.0

Molybdenum binding site 2 out of 2 in the Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Complex of Bovine Xanthine Dehydrogenase and Trihydroxy Fyx-051 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo1334 b:20.9 occ:1.00 MO B:MOS1334 0.0 20.9 1.0 O1 B:MOS1334 1.7 18.3 1.0 S B:MOS1334 2.3 20.2 1.0 S2' B:MTE1333 2.3 18.0 1.0 NAA B:FYO1335 2.3 20.8 1.0 S1' B:MTE1333 2.3 16.9 1.0 CAE B:FYO1335 3.0 26.3 1.0 C2' B:MTE1333 3.2 18.9 1.0 C1' B:MTE1333 3.2 15.8 1.0 OE2 B:GLU1261 3.8 21.9 1.0 CA B:GLY799 3.9 15.4 1.0 N B:GLY799 4.0 15.7 1.0 CD B:GLU1261 4.1 21.4 1.0 N B:ALA1079 4.2 17.4 1.0 CA B:ALA1078 4.3 17.9 1.0 CB B:ALA1078 4.4 17.4 1.0 CG B:GLU1261 4.5 17.5 1.0 OE2 B:GLU802 4.6 26.9 1.0 C B:PHE798 4.6 14.4 1.0 OE1 B:GLU1261 4.6 15.6 1.0 CAR B:FYO1335 4.6 31.7 1.0 NE2 B:GLN767 4.6 17.7 1.0 C3' B:MTE1333 4.7 18.3 1.0 C6 B:MTE1333 4.7 17.8 1.0 CA B:ARG912 4.7 16.0 1.0 N B:ARG912 4.8 15.7 1.0 C B:ALA1078 4.8 17.6 1.0 O B:PHE798 4.8 15.0 1.0

K.Matsumoto, K.Okamoto, N.Ashizawa, T.Nishino. Fyx-051: A Novel and Potent Hybrid-Type Inhibitor of Xanthine Oxidoreductase J.Pharmacol.Exp.Ther. V. 336 95 2011.
ISSN: ISSN 0022-3565
PubMed: 20952484
DOI: 10.1124/JPET.110.174540