Molybdenum in PDB 1n5x: Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound

All present enzymatic activity of Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound:
1.1.1.204;

The structure of Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound, PDB code: 1n5x was solved by K.Okamoto, B.T.Eger, T.Nishino, S.Kondo, E.F.Pai, T.Nishino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.269, 124.659, 147.325, 90.00, 90.99, 90.00
R / Rfree (%)	24.4 / 27.5

The structure of Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Molybdenum atom in the Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound (pdb code 1n5x). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound, PDB code: 1n5x:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo3004 b:20.9 occ:1.00 MO A:MOS3004 0.0 20.9 1.0 O2 A:MOS3004 1.6 20.9 1.0 O1 A:MOS3004 1.7 20.9 1.0 S A:MOS3004 1.8 20.9 1.0 S2' A:MTE3003 2.4 20.9 1.0 S1' A:MTE3003 2.5 20.9 1.0 C1' A:MTE3003 3.3 20.9 1.0 C2' A:MTE3003 3.4 20.9 1.0 OE2 A:GLU1261 3.6 20.9 1.0 CD A:GLU1261 4.1 20.9 1.0 CB A:ALA1078 4.2 20.9 1.0 N A:ALA1079 4.3 20.9 1.0 CA A:ALA1078 4.3 20.9 1.0 CA A:GLY799 4.3 20.9 1.0 N A:GLY799 4.4 20.9 1.0 C A:PHE798 4.5 20.9 1.0 O A:PHE798 4.5 20.9 1.0 CG A:GLU1261 4.5 20.9 1.0 CA A:ARG912 4.6 20.9 1.0 C6 A:MTE3003 4.6 20.9 1.0 N A:ARG912 4.7 20.9 1.0 OE2 A:GLU802 4.7 20.9 1.0 OE1 A:GLU1261 4.8 20.9 1.0 C A:ALA1078 4.8 20.9 1.0 NE2 A:GLN767 4.8 20.9 1.0 C3' A:MTE3003 4.9 20.9 1.0

Molybdenum binding site 2 out of 2 in the Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Xanthine Dehydrogenase From Bovine Milk with Inhibitor Tei-6720 Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo4004 b:20.9 occ:1.00 MO B:MOS4004 0.0 20.9 1.0 O2 B:MOS4004 1.6 20.9 1.0 O1 B:MOS4004 1.7 20.9 1.0 S B:MOS4004 1.8 20.9 1.0 S2' B:MTE4003 2.4 20.9 1.0 S1' B:MTE4003 2.5 20.9 1.0 C1' B:MTE4003 3.3 20.9 1.0 C2' B:MTE4003 3.4 20.9 1.0 OE2 B:GLU1261 3.6 20.9 1.0 CD B:GLU1261 4.1 20.9 1.0 CB B:ALA1078 4.2 20.9 1.0 N B:ALA1079 4.3 20.9 1.0 CA B:ALA1078 4.3 20.9 1.0 CA B:GLY799 4.3 20.9 1.0 N B:GLY799 4.4 20.9 1.0 C B:PHE798 4.5 20.9 1.0 O B:PHE798 4.5 20.9 1.0 CG B:GLU1261 4.5 20.9 1.0 CA B:ARG912 4.6 20.9 1.0 C6 B:MTE4003 4.6 20.9 1.0 N B:ARG912 4.7 20.9 1.0 OE2 B:GLU802 4.7 20.9 1.0 OE1 B:GLU1261 4.8 20.9 1.0 C B:ALA1078 4.8 20.9 1.0 NE2 B:GLN767 4.8 20.9 1.0 C3' B:MTE4003 4.9 20.9 1.0

K.Okamoto, B.T.Eger, T.Nishino, S.Kondo, E.F.Pai, T.Nishino. An Extremely Potent Inhibitor of Xanthine Oxidoreductase: Crystal Structure of the Enzyme-Inhibitor Complex and Mechanism of Inhibition J.Biol.Chem. V. 278 1848 2003.
ISSN: ISSN 0021-9258
PubMed: 12421831
DOI: 10.1074/JBC.M208307200