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Molybdenum in PDB 3ns1: Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine

Enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine

All present enzymatic activity of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine:
1.17.1.4; 1.17.3.2;

Protein crystallography data

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine, PDB code: 3ns1 was solved by H.Cao, J.M.Pauff, R.Hille, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.50 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 134.636, 73.928, 140.353, 90.00, 97.01, 90.00
R / Rfree (%) 21.7 / 26.9

Other elements in 3ns1:

The structure of Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine 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 6- Mercaptopurine (pdb code 3ns1). 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 6- Mercaptopurine, PDB code: 3ns1:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 3ns1

Go back to Molybdenum Binding Sites List in 3ns1
Molybdenum binding site 1 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine


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 6- Mercaptopurine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo1327

b:34.6
occ:1.00
MO C:MOS1327 0.0 34.6 1.0
O2 C:MOS1327 1.7 34.8 1.0
O1 C:MOS1327 2.0 36.3 1.0
S C:MOS1327 2.1 48.4 1.0
S1' C:MTE1326 2.5 23.9 1.0
S2' C:MTE1326 2.6 24.1 1.0
C1' C:MTE1326 3.3 23.2 1.0
C2' C:MTE1326 3.4 23.1 1.0
OE2 C:GLU1261 4.0 19.1 1.0
CB C:ALA1078 4.1 16.6 1.0
N C:ALA1079 4.2 16.4 1.0
CA C:GLY799 4.2 16.7 1.0
CD C:GLU1261 4.3 19.6 1.0
N C:GLY799 4.3 17.1 1.0
CA C:ALA1078 4.3 16.5 1.0
C C:PHE798 4.5 17.3 1.0
O C:PHE798 4.5 17.8 1.0
CA C:ARG912 4.6 14.9 1.0
CG C:GLU1261 4.7 18.8 1.0
N C:ARG912 4.7 14.4 1.0
NE2 C:GLN767 4.7 17.9 1.0
C6 C:MTE1326 4.8 21.7 1.0
C C:ALA1078 4.8 17.0 1.0
C3' C:MTE1326 4.8 23.6 1.0
C8 C:PM61 4.8 33.2 1.0
OE1 C:GLU1261 4.9 18.4 1.0
OE2 C:GLU802 5.0 23.5 1.0

Molybdenum binding site 2 out of 2 in 3ns1

Go back to Molybdenum Binding Sites List in 3ns1
Molybdenum binding site 2 out of 2 in the Crystal Structure of Bovine Xanthine Oxidase in Complex with 6- Mercaptopurine


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 6- Mercaptopurine within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Mo1327

b:37.3
occ:1.00
MO L:MOS1327 0.0 37.3 1.0
O2 L:MOS1327 1.7 42.3 1.0
O1 L:MOS1327 2.0 39.2 1.0
S L:MOS1327 2.1 45.2 1.0
S1' L:MTE1326 2.5 35.2 1.0
S2' L:MTE1326 2.6 29.9 1.0
C2' L:MTE1326 3.5 31.3 1.0
C1' L:MTE1326 3.5 30.7 1.0
OE2 L:GLU1261 4.0 19.4 1.0
CB L:ALA1078 4.1 16.4 1.0
N L:ALA1079 4.2 16.3 1.0
CA L:ALA1078 4.2 16.6 1.0
CA L:GLY799 4.2 17.1 1.0
CD L:GLU1261 4.2 19.9 1.0
N L:GLY799 4.4 17.6 1.0
NE2 L:GLN767 4.6 17.5 1.0
C L:PHE798 4.6 17.1 1.0
CG L:GLU1261 4.6 19.6 1.0
CA L:ARG912 4.7 15.1 1.0
C L:ALA1078 4.7 16.9 1.0
O L:PHE798 4.7 17.4 1.0
OE1 L:GLU1261 4.7 18.6 1.0
OE2 L:GLU802 4.8 23.2 1.0
N L:ARG912 4.8 14.5 1.0
C3' L:MTE1326 4.9 30.6 1.0
C6 L:MTE1326 4.9 28.8 1.0

Reference:

H.Cao, J.M.Pauff, R.Hille. Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase: the Sequential Hydroxylation of Hypoxanthine to Uric Acid. J.Biol.Chem. V. 285 28044 2010.
ISSN: ISSN 0021-9258
PubMed: 20615869
DOI: 10.1074/JBC.M110.128561
Page generated: Tue Dec 15 05:18:15 2020

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