Atomistry » Molybdenum » PDB 2ca3-3fah » 2w54
Atomistry »
  Molybdenum »
    PDB 2ca3-3fah »
      2w54 »

Molybdenum in PDB 2w54: Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde

Enzymatic activity of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde

All present enzymatic activity of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde:
1.1.1.204;

Protein crystallography data

The structure of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde, PDB code: 2w54 was solved by J.A.Doebbler, J.J.Truglio, S.Leimkuhler, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 92.571, 140.695, 157.859, 109.63, 105.83, 101.23
R / Rfree (%) 18.6 / 22.4

Other elements in 2w54:

The structure of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde also contains other interesting chemical elements:

Barium (Ba) 4 atoms
Iron (Fe) 16 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde (pdb code 2w54). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde, PDB code: 2w54:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 2w54

Go back to Molybdenum Binding Sites List in 2w54
Molybdenum binding site 1 out of 4 in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-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 Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1778

b:40.4
occ:0.70
MO B:XAX1778 0.0 40.4 0.7
O2 B:XAX1778 1.7 39.7 0.7
S3 B:XAX1778 2.1 40.6 0.7
O1 B:XAX1778 2.1 39.3 0.7
S2' B:XAX1778 2.3 38.5 0.7
S1' B:XAX1778 2.3 38.2 0.7
C1' B:XAX1778 3.3 36.7 0.7
C2' B:XAX1778 3.3 36.7 0.7
OE2 B:GLU730 3.6 25.7 1.0
CD B:GLU730 4.0 25.4 1.0
CA B:ALA528 4.1 25.0 1.0
CB B:ALA528 4.2 25.0 1.0
N B:ALA529 4.3 25.7 1.0
CG B:GLU730 4.3 24.4 1.0
CA B:GLY229 4.3 22.9 1.0
N B:GLY229 4.4 22.9 1.0
NE2 B:GLN197 4.5 22.5 1.0
N2 B:HHR1780 4.5 83.7 1.0
N B:ARG342 4.5 23.0 1.0
CA B:ARG342 4.5 23.1 1.0
C B:ALA528 4.6 25.3 1.0
C6 B:XAX1778 4.6 35.1 0.7
OE1 B:GLU730 4.6 25.8 1.0
O B:THR527 4.6 24.0 1.0
C3' B:XAX1778 4.7 35.3 0.7
C B:PHE228 4.7 22.9 1.0
O B:PHE228 4.9 23.0 1.0

Molybdenum binding site 2 out of 4 in 2w54

Go back to Molybdenum Binding Sites List in 2w54
Molybdenum binding site 2 out of 4 in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-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 Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mo1778

b:30.9
occ:0.70
MO D:XAX1778 0.0 30.9 0.7
O1 D:XAX1778 1.7 29.8 0.7
S3 D:XAX1778 2.1 31.3 0.7
O2 D:XAX1778 2.1 29.9 0.7
S2' D:XAX1778 2.3 28.9 0.7
S1' D:XAX1778 2.3 28.8 0.7
C2' D:XAX1778 3.3 27.5 0.7
OE2 D:GLU730 3.3 25.7 1.0
C1' D:XAX1778 3.3 27.4 0.7
CD D:GLU730 3.8 25.5 1.0
CB D:ALA528 4.1 24.8 1.0
CA D:ALA528 4.1 24.6 1.0
CG D:GLU730 4.2 24.5 1.0
N D:ALA529 4.3 25.4 1.0
CA D:GLY229 4.3 22.7 1.0
N2 D:HHR1780 4.4 76.5 1.0
N D:GLY229 4.4 22.6 1.0
NE2 D:GLN197 4.5 22.2 1.0
CA D:ARG342 4.5 23.1 1.0
N D:ARG342 4.6 23.0 1.0
OE1 D:GLU730 4.6 25.8 1.0
C6 D:XAX1778 4.6 25.8 0.7
C D:ALA528 4.7 24.9 1.0
C3' D:XAX1778 4.7 26.7 0.7
C D:PHE228 4.8 22.5 1.0
O D:THR527 4.8 24.0 1.0
O D:PHE228 4.9 22.6 1.0

Molybdenum binding site 3 out of 4 in 2w54

Go back to Molybdenum Binding Sites List in 2w54
Molybdenum binding site 3 out of 4 in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mo1778

b:33.0
occ:0.70
MO F:XAX1778 0.0 33.0 0.7
O2 F:XAX1778 1.7 32.2 0.7
S3 F:XAX1778 2.0 33.1 0.7
O1 F:XAX1778 2.1 32.1 0.7
S2' F:XAX1778 2.3 32.1 0.7
S1' F:XAX1778 2.3 31.5 0.7
C1' F:XAX1778 3.3 30.8 0.7
C2' F:XAX1778 3.3 31.1 0.7
OE2 F:GLU730 3.3 25.7 1.0
CD F:GLU730 3.9 25.7 1.0
CA F:ALA528 4.1 24.8 1.0
CB F:ALA528 4.1 24.9 1.0
CG F:GLU730 4.2 24.5 1.0
CA F:GLY229 4.3 22.8 1.0
N F:ALA529 4.3 25.6 1.0
N F:GLY229 4.4 22.8 1.0
CA F:ARG342 4.5 22.9 1.0
NE2 F:GLN197 4.5 22.3 1.0
N F:ARG342 4.6 22.9 1.0
C6 F:XAX1778 4.6 29.8 0.7
N2 F:HHR1780 4.6 81.9 1.0
C F:ALA528 4.7 25.1 1.0
C F:PHE228 4.7 22.8 1.0
C3' F:XAX1778 4.7 30.7 0.7
OE1 F:GLU730 4.7 26.4 1.0
O F:THR527 4.8 24.0 1.0
O F:PHE228 4.9 22.9 1.0

Molybdenum binding site 4 out of 4 in 2w54

Go back to Molybdenum Binding Sites List in 2w54
Molybdenum binding site 4 out of 4 in the Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of Xanthine Dehydrogenase From Rhodobacter Capsulatus in Complex with Bound Inhibitor Pterin-6-Aldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mo1778

b:44.8
occ:0.70
MO H:XAX1778 0.0 44.8 0.7
O2 H:XAX1778 1.7 43.9 0.7
S3 H:XAX1778 2.1 44.2 0.7
O1 H:XAX1778 2.1 43.3 0.7
S2' H:XAX1778 2.3 42.6 0.7
S1' H:XAX1778 2.3 41.6 0.7
C1' H:XAX1778 3.3 40.2 0.7
C2' H:XAX1778 3.3 40.3 0.7
OE2 H:GLU730 3.6 25.5 1.0
CD H:GLU730 3.8 25.5 1.0
CA H:ALA528 4.1 24.9 1.0
CB H:ALA528 4.2 24.9 1.0
OE1 H:GLU730 4.2 25.7 1.0
CA H:GLY229 4.2 23.0 1.0
CG H:GLU730 4.2 24.6 1.0
N H:ALA529 4.3 25.6 1.0
N H:GLY229 4.3 23.0 1.0
NE2 H:GLN197 4.4 22.7 1.0
N2 H:HHR1780 4.5 84.3 1.0
CA H:ARG342 4.6 23.1 1.0
C6 H:XAX1778 4.6 38.7 0.7
N H:ARG342 4.6 22.9 1.0
C H:ALA528 4.7 25.2 1.0
O H:THR527 4.7 24.1 1.0
C3' H:XAX1778 4.7 38.7 0.7
C H:PHE228 4.7 22.9 1.0
O H:PHE228 5.0 22.9 1.0

Reference:

U.Dietzel, J.Kuper, J.A.Doebbler, A.Schulte, J.J.Truglio, S.Leimkuhler, C.Kisker. Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase. J.Biol.Chem. V. 284 8768 2009.
ISSN: ISSN 0021-9258
PubMed: 19109249
DOI: 10.1074/JBC.M808114200
Page generated: Tue Dec 15 05:17:34 2020

Last articles

Zn in 7RE3
Zn in 7RDX
Zn in 7RDZ
Zn in 7RWM
Zn in 7PGU
Zn in 7PGR
Zn in 7PGT
Zn in 7PGS
Zn in 7SQE
Zn in 7RWK
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy