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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 1n5x:

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

Iron (Fe) 8 atoms

Molybdenum Binding Sites:

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 1n5x

Go back to Molybdenum Binding Sites List in 1n5x
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 1n5x

Go back to Molybdenum Binding Sites List in 1n5x
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

Reference:

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
Page generated: Tue Dec 15 05:15:59 2020

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