Molybdenum in PDB 3eub: Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine

All present enzymatic activity of Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine:
1.17.1.4; 1.17.3.2;

The structure of Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine, PDB code: 3eub was solved by J.M.Pauff, H.Cao, R.Hille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.08 / 2.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	73.298, 133.176, 142.633, 96.88, 93.11, 90.02
R / Rfree (%)	21.4 / 26.8

The structure of Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine also contains other interesting chemical elements:

Iron

(Fe)

16 atoms

The binding sites of Molybdenum atom in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine (pdb code 3eub). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine, PDB code: 3eub:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine


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 Desulfo-Xanthine Oxidase with Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo1334 b:16.6 occ:1.00 MO1 C:MOM1334 0.0 16.6 1.0 OM2 C:MOM1334 1.7 16.9 1.0 OM1 C:MOM1334 2.0 17.7 1.0 OM3 C:MOM1334 2.2 20.2 1.0 S1' C:MTE1333 2.3 11.6 1.0 S2' C:MTE1333 2.6 7.7 1.0 C1' C:MTE1333 3.4 9.8 1.0 C2' C:MTE1333 3.5 9.8 1.0 OE2 C:GLU1261 3.8 12.8 1.0 CD C:GLU1261 4.1 11.3 1.0 CA C:GLY799 4.1 5.8 1.0 N C:ALA1079 4.1 8.2 1.0 N C:GLY799 4.3 5.3 1.0 CA C:ALA1078 4.3 7.2 1.0 N C:ARG912 4.3 4.6 1.0 CA C:ARG912 4.3 6.0 1.0 CB C:ALA1078 4.4 7.0 1.0 CG C:GLU1261 4.4 10.4 1.0 C C:PHE798 4.4 4.5 1.0 NE2 C:GLN767 4.5 5.9 1.0 O C:PHE798 4.5 4.6 1.0 C8 C:XAN7319 4.6 27.7 1.0 OE1 C:GLU1261 4.7 12.8 1.0 OE2 C:GLU802 4.7 13.5 1.0 C C:ALA1078 4.7 7.7 1.0 C6 C:MTE1333 4.8 10.7 1.0 C3' C:MTE1333 4.9 11.1 1.0

Molybdenum binding site 2 out of 4 in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine


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 Desulfo-Xanthine Oxidase with Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ L:Mo1334 b:15.8 occ:1.00 MO1 L:MOM1334 0.0 15.8 1.0 OM2 L:MOM1334 1.7 15.3 1.0 OM1 L:MOM1334 2.0 12.4 1.0 OM3 L:MOM1334 2.2 16.2 1.0 S1' L:MTE1333 2.4 13.8 1.0 S2' L:MTE1333 2.5 12.0 1.0 C1' L:MTE1333 3.4 11.7 1.0 C2' L:MTE1333 3.4 11.4 1.0 OE2 L:GLU1261 4.0 12.6 1.0 CD L:GLU1261 4.0 11.2 1.0 CA L:GLY799 4.1 5.8 1.0 N L:ALA1079 4.2 8.2 1.0 N L:GLY799 4.2 5.2 1.0 CA L:ARG912 4.2 5.4 1.0 N L:ARG912 4.2 4.6 1.0 CA L:ALA1078 4.3 7.1 1.0 OE1 L:GLU1261 4.3 12.4 1.0 C L:PHE798 4.4 4.6 1.0 CB L:ALA1078 4.4 6.7 1.0 CG L:GLU1261 4.4 10.3 1.0 NE2 L:GLN767 4.5 5.7 1.0 O L:PHE798 4.5 4.5 1.0 C8 L:XAN7319 4.6 33.1 1.0 OE2 L:GLU802 4.6 13.9 1.0 C L:ALA1078 4.7 7.6 1.0 C6 L:MTE1333 4.8 8.8 1.0 C3' L:MTE1333 4.9 9.6 1.0 CB L:ARG912 5.0 5.5 1.0

Molybdenum binding site 3 out of 4 in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ U:Mo1334 b:15.9 occ:1.00 MO1 U:MOM1334 0.0 15.9 1.0 OM2 U:MOM1334 1.7 12.7 1.0 OM1 U:MOM1334 2.0 15.0 1.0 OM3 U:MOM1334 2.2 15.8 1.0 S1' U:MTE1333 2.4 15.1 1.0 S2' U:MTE1333 2.6 14.8 1.0 C1' U:MTE1333 3.4 13.6 1.0 C2' U:MTE1333 3.5 13.2 1.0 OE2 U:GLU1261 4.0 12.4 1.0 CA U:GLY799 4.1 5.9 1.0 CD U:GLU1261 4.1 12.6 1.0 N U:GLY799 4.1 6.1 1.0 N U:ALA1079 4.3 5.7 1.0 C8 U:XAN7319 4.3 41.6 1.0 CB U:ALA1078 4.3 4.1 1.0 CG U:GLU1261 4.4 11.4 1.0 N U:ARG912 4.4 4.4 1.0 CA U:ALA1078 4.4 4.2 1.0 CA U:ARG912 4.4 5.1 1.0 C U:PHE798 4.4 5.6 1.0 OE1 U:GLU1261 4.6 15.4 1.0 O U:PHE798 4.7 5.8 1.0 N9 U:XAN7319 4.7 42.0 1.0 NE2 U:GLN767 4.8 8.6 1.0 C6 U:MTE1333 4.8 12.3 1.0 OE2 U:GLU802 4.8 9.3 1.0 C U:ALA1078 4.9 5.0 1.0 C3' U:MTE1333 4.9 10.7 1.0

Molybdenum binding site 4 out of 4 in the Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine within 5.0Å range: probe atom residue distance (Å) B Occ 4:Mo1334 b:14.9 occ:1.00 MO1 4:MOM1334 0.0 14.9 1.0 OM2 4:MOM1334 1.7 12.8 1.0 OM1 4:MOM1334 2.0 12.4 1.0 OM3 4:MOM1334 2.1 18.6 1.0 S1' 4:MTE1333 2.2 12.8 1.0 S2' 4:MTE1333 2.6 12.2 1.0 C1' 4:MTE1333 3.2 14.8 1.0 C2' 4:MTE1333 3.3 13.4 1.0 CA 4:GLY799 4.1 6.0 1.0 N 4:GLY799 4.2 6.3 1.0 OE2 4:GLU1261 4.2 13.2 1.0 N 4:ALA1079 4.2 5.2 1.0 CB 4:ALA1078 4.3 4.1 1.0 CA 4:ALA1078 4.3 4.2 1.0 CD 4:GLU1261 4.3 12.9 1.0 C 4:PHE798 4.4 5.7 1.0 CA 4:ARG912 4.5 5.3 1.0 C8 4:XAN7319 4.5 34.4 1.0 O 4:PHE798 4.5 5.7 1.0 N 4:ARG912 4.5 4.2 1.0 CG 4:GLU1261 4.6 11.4 1.0 C6 4:MTE1333 4.6 13.8 1.0 NE2 4:GLN767 4.7 8.5 1.0 OE2 4:GLU802 4.7 9.0 1.0 C3' 4:MTE1333 4.8 14.7 1.0 OE1 4:GLU1261 4.8 15.1 1.0 C 4:ALA1078 4.8 4.9 1.0

J.M.Pauff, H.Cao, R.Hille. Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: Crystal Structures in Complex with Xanthine and Lumazine. J.Biol.Chem. V. 284 8760 2009.
ISSN: ISSN 0021-9258
PubMed: 19109252
DOI: 10.1074/JBC.M804517200