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Molybdenum in PDB 3nvy: Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin

Enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin:
1.17.1.4; 1.17.3.2;

Protein crystallography data

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

Resolution Low / High (Å) 101.50 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 132.686, 73.398, 138.210, 90.00, 97.13, 90.00
R / Rfree (%) 19.2 / 23.7

Molybdenum Binding Sites:

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

Molybdenum binding site 1 out of 2 in 3nvy

Go back to Molybdenum Binding Sites List in 3nvy
Molybdenum binding site 1 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin


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 Bovine Xanthine Oxidase in Complex with Quercetin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo1328

b:19.5
occ:1.00
MO C:MOS1328 0.0 19.5 1.0
O2 C:MOS1328 1.7 21.0 1.0
O1 C:MOS1328 2.0 21.1 1.0
S C:MOS1328 2.1 34.4 1.0
S2' C:MTE1327 2.3 13.3 1.0
S1' C:MTE1327 2.4 14.9 1.0
C2' C:MTE1327 3.3 15.8 1.0
C1' C:MTE1327 3.3 13.8 1.0
OE2 C:GLU1261 3.7 17.8 1.0
CD C:GLU1261 4.1 16.0 1.0
CA C:GLY799 4.1 13.3 1.0
CA C:ALA1078 4.1 15.1 1.0
N C:ALA1079 4.2 14.7 1.0
N C:GLY799 4.2 14.1 1.0
CB C:ALA1078 4.3 15.4 1.0
CG C:GLU1261 4.5 15.1 1.0
CA C:ARG912 4.5 13.9 1.0
NE2 C:GLN767 4.5 15.0 1.0
C C:PHE798 4.5 14.6 1.0
N C:ARG912 4.5 15.2 1.0
OE1 C:GLU1261 4.7 16.7 1.0
C C:ALA1078 4.7 15.1 1.0
C3' C:MTE1327 4.7 16.4 1.0
O C:PHE798 4.7 15.8 1.0
C6 C:MTE1327 4.7 13.5 1.0
O C:THR1077 4.9 17.8 1.0
OE2 C:GLU802 4.9 33.2 1.0
C4' C:MTE1327 5.0 17.8 1.0

Molybdenum binding site 2 out of 2 in 3nvy

Go back to Molybdenum Binding Sites List in 3nvy
Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin


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 Bovine Xanthine Oxidase in Complex with Quercetin within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mo1328

b:21.9
occ:1.00
MO L:MOS1328 0.0 21.9 1.0
O2 L:MOS1328 1.7 26.8 1.0
O1 L:MOS1328 2.0 19.2 1.0
S L:MOS1328 2.1 36.0 1.0
S1' L:MTE1327 2.3 14.7 1.0
S2' L:MTE1327 2.4 16.0 1.0
C1' L:MTE1327 3.2 16.4 1.0
C2' L:MTE1327 3.2 16.1 1.0
OE2 L:GLU1261 3.7 19.1 1.0
CD L:GLU1261 4.0 21.6 1.0
CA L:GLY799 4.0 13.7 1.0
N L:GLY799 4.1 14.9 1.0
CA L:ALA1078 4.2 17.3 1.0
N L:ALA1079 4.2 17.5 1.0
CB L:ALA1078 4.4 18.1 1.0
CG L:GLU1261 4.4 17.1 1.0
CA L:ARG912 4.5 17.2 1.0
NE2 L:GLN767 4.5 14.0 1.0
C L:PHE798 4.5 15.4 1.0
N L:ARG912 4.5 17.5 1.0
C6 L:MTE1327 4.7 14.0 1.0
C3' L:MTE1327 4.7 17.7 1.0
OE1 L:GLU1261 4.7 18.6 1.0
O L:PHE798 4.7 15.7 1.0
C L:ALA1078 4.7 17.5 1.0
OE2 L:GLU802 4.8 35.1 1.0
C4' L:MTE1327 4.9 22.4 1.0
O L:THR1077 4.9 18.6 1.0
O30 L:QUE1356 5.0 39.8 1.0

Reference:

H.Cao, J.M.Pauff, R.Hille. X-Ray Crystal Structure of A Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin. J Nat Prod V. 77 1693 2014.
PubMed: 25060641
DOI: 10.1021/NP500320G
Page generated: Wed Sep 23 13:42:20 2020
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