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Molybdenum in PDB 3nvz: Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde

Enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde:
1.17.1.4; 1.17.3.2;

Protein crystallography data

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde, PDB code: 3nvz 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) 45.20 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 133.409, 73.704, 138.922, 90.00, 97.12, 90.00
R / Rfree (%) 21.5 / 24.6

Other elements in 3nvz:

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde also contains other interesting chemical elements:

Iron (Fe) 8 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde (pdb code 3nvz). 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 Indole-3- Aldehyde, PDB code: 3nvz:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 3nvz

Go back to Molybdenum Binding Sites List in 3nvz
Molybdenum binding site 1 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde


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 Indole-3- Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo1327

b:20.8
occ:1.00
MO C:MOS1327 0.0 20.8 1.0
O2 C:MOS1327 1.7 20.7 1.0
O1 C:MOS1327 2.0 23.1 1.0
S C:MOS1327 2.1 33.7 1.0
S1' C:MTE1326 2.4 16.9 1.0
S2' C:MTE1326 2.5 19.1 1.0
C1' C:MTE1326 3.3 15.3 1.0
C2' C:MTE1326 3.4 16.8 1.0
OE2 C:GLU1261 3.7 18.4 1.0
CD C:GLU1261 4.1 15.4 1.0
CA C:GLY799 4.1 10.1 1.0
N C:ALA1079 4.2 13.6 1.0
N C:GLY799 4.2 10.6 1.0
CA C:ALA1078 4.2 13.2 1.0
CB C:ALA1078 4.3 12.7 1.0
CA C:ARG912 4.4 12.8 1.0
N C:ARG912 4.5 12.1 1.0
CG C:GLU1261 4.5 14.0 1.0
C C:PHE798 4.5 10.3 1.0
NE2 C:GLN767 4.5 12.8 1.0
O C:PHE798 4.6 12.2 1.0
OE1 C:GLU1261 4.7 16.4 1.0
OE2 C:GLU802 4.7 21.4 1.0
C C:ALA1078 4.7 13.2 1.0
C6 C:MTE1326 4.8 15.6 1.0
C3' C:MTE1326 4.8 16.7 1.0

Molybdenum binding site 2 out of 2 in 3nvz

Go back to Molybdenum Binding Sites List in 3nvz
Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3- Aldehyde


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 Indole-3- Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mo1327

b:22.5
occ:1.00
MO L:MOS1327 0.0 22.5 1.0
O2 L:MOS1327 1.7 25.3 1.0
O1 L:MOS1327 2.0 22.9 1.0
S L:MOS1327 2.1 34.8 1.0
S1' L:MTE1326 2.3 18.7 1.0
S2' L:MTE1326 2.5 19.1 1.0
C1' L:MTE1326 3.3 19.5 1.0
C2' L:MTE1326 3.3 19.7 1.0
OE2 L:GLU1261 3.7 17.5 1.0
CD L:GLU1261 4.0 19.3 1.0
CA L:GLY799 4.1 13.2 1.0
N L:ALA1079 4.2 12.9 1.0
N L:GLY799 4.2 12.8 1.0
CB L:ALA1078 4.3 13.2 1.0
CA L:ALA1078 4.3 13.1 1.0
CA L:ARG912 4.4 14.1 1.0
N L:ARG912 4.4 13.3 1.0
CG L:GLU1261 4.5 17.0 1.0
C L:PHE798 4.5 12.7 1.0
NE2 L:GLN767 4.5 12.0 1.0
OE1 L:GLU1261 4.6 19.2 1.0
O L:PHE798 4.6 14.2 1.0
C L:ALA1078 4.7 12.7 1.0
C6 L:MTE1326 4.8 18.3 1.0
C3' L:MTE1326 4.8 20.4 1.0
OE2 L:GLU802 4.8 23.8 1.0

Reference:

H.Cao, J.Hall, R.Hille. Substrate Orientation and Specificity in Xanthine Oxidase: Crystal Structures of the Enzyme in Complex with Indole-3-Acetaldehyde and Guanine. Biochemistry V. 53 533 2014.
ISSN: ISSN 0006-2960
PubMed: 24397336
DOI: 10.1021/BI401465U
Page generated: Tue Dec 15 05:18:21 2020

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