Atomistry » Molybdenum » PDB 2ca3-3fah » 2w3r
Atomistry »
  Molybdenum »
    PDB 2ca3-3fah »
      2w3r »

Molybdenum in PDB 2w3r: Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine

Enzymatic activity of Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine

All present enzymatic activity of Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine:
1.1.1.204;

Protein crystallography data

The structure of Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine, PDB code: 2w3r was solved by U.Dietzel, J.Kuper, S.Leimkuhler, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.23 / 2.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 92.770, 139.940, 158.040, 109.33, 106.15, 101.05
R / Rfree (%) 24 / 28.1

Other elements in 2w3r:

The structure of Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine also contains other interesting chemical elements:

Iron (Fe) 16 atoms
Calcium (Ca) 4 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine (pdb code 2w3r). 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 (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine, PDB code: 2w3r:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 2w3r

Go back to Molybdenum Binding Sites List in 2w3r
Molybdenum binding site 1 out of 4 in the Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine


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 (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1781

b:56.0
occ:0.70
 MO1 B:MOM1781 0.0 56.0 0.7
OM1 B:MOM1781 1.7 58.1 1.0
OM3 B:MOM1781 1.7 55.6 0.7
OM2 B:MOM1781 2.1 55.3 0.7
S2' B:MTE1778 2.3 55.2 0.7
S1' B:MTE1778 2.3 55.0 0.7
OE2 B:GLU730 3.2 45.6 1.0
C2' B:MTE1778 3.3 54.4 0.7
C1' B:MTE1778 3.3 54.4 0.7
CD B:GLU730 3.9 45.5 1.0
CB B:ALA528 4.0 43.0 1.0
CA B:ALA528 4.1 43.0 1.0
N B:ARG342 4.1 42.2 1.0
CA B:GLY229 4.2 39.5 1.0
CA B:ARG342 4.3 42.5 1.0
N B:ALA529 4.3 44.2 1.0
N B:GLY229 4.4 39.4 1.0
CG B:GLU730 4.4 45.0 1.0
C6 B:MTE1778 4.6 53.5 0.7
NE2 B:GLN197 4.6 38.0 1.0
OE2 B:GLU232 4.6 42.6 1.0
OE1 B:GLU730 4.7 45.8 1.0
C B:PHE228 4.7 39.5 1.0
C3' B:MTE1778 4.7 53.9 0.7
C B:ALA528 4.8 43.6 1.0
O B:THR527 4.8 41.4 1.0
O B:PHE228 4.8 39.6 1.0
C B:PHE341 4.9 41.9 1.0

Molybdenum binding site 2 out of 4 in 2w3r

Go back to Molybdenum Binding Sites List in 2w3r
Molybdenum binding site 2 out of 4 in the Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine


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 (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mo1781

b:39.1
occ:0.70
 MO1 D:MOM1781 0.0 39.1 0.7
OM1 D:MOM1781 1.7 40.0 1.0
OM3 D:MOM1781 1.7 38.8 0.7
OM2 D:MOM1781 2.1 38.7 0.7
S2' D:MTE1778 2.3 38.2 0.7
S1' D:MTE1778 2.3 37.9 0.7
OE2 D:GLU730 3.0 44.9 1.0
C2' D:MTE1778 3.3 37.7 0.7
C1' D:MTE1778 3.3 37.1 0.7
CD D:GLU730 3.8 45.0 1.0
CB D:ALA528 4.1 42.7 1.0
CA D:ALA528 4.1 42.6 1.0
N D:ALA529 4.2 44.0 1.0
CA D:GLY229 4.2 39.4 1.0
CG D:GLU730 4.3 44.8 1.0
N D:ARG342 4.3 42.1 1.0
CA D:ARG342 4.3 42.4 1.0
N D:GLY229 4.3 39.2 1.0
OE1 D:GLU730 4.6 45.2 1.0
C6 D:MTE1778 4.6 35.5 0.7
OE2 D:GLU232 4.6 42.1 1.0
C D:PHE228 4.6 39.1 1.0
C D:ALA528 4.7 43.3 1.0
C3' D:MTE1778 4.7 37.2 0.7
O D:PHE228 4.7 39.2 1.0
NE2 D:GLN197 4.7 37.5 1.0
C D:PHE341 4.9 41.8 1.0

Molybdenum binding site 3 out of 4 in 2w3r

Go back to Molybdenum Binding Sites List in 2w3r
Molybdenum binding site 3 out of 4 in the Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine


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 (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mo1781

b:42.4
occ:0.70
 MO1 F:MOM1781 0.0 42.4 0.7
OM1 F:MOM1781 1.7 40.5 1.0
OM3 F:MOM1781 1.7 42.0 0.7
OM2 F:MOM1781 2.1 41.8 0.7
S1' F:MTE1778 2.3 41.6 0.7
S2' F:MTE1778 2.3 42.2 0.7
OE2 F:GLU730 2.9 45.7 1.0
C1' F:MTE1778 3.3 41.5 0.7
C2' F:MTE1778 3.3 41.9 0.7
CD F:GLU730 3.9 45.5 1.0
N F:ALA529 4.0 44.2 1.0
N F:ARG342 4.2 42.2 1.0
CA F:ALA528 4.2 42.8 1.0
CA F:GLY229 4.2 39.4 1.0
CA F:ARG342 4.2 42.4 1.0
CG F:GLU730 4.3 44.9 1.0
CB F:ALA528 4.3 42.9 1.0
N F:GLY229 4.4 39.3 1.0
C6 F:MTE1778 4.6 40.9 0.7
C F:ALA528 4.6 43.4 1.0
NE2 F:GLN197 4.7 37.2 1.0
C F:PHE228 4.7 39.3 1.0
C3' F:MTE1778 4.7 41.8 0.7
O F:PHE228 4.8 39.3 1.0
OE2 F:GLU232 4.8 42.1 1.0
OE1 F:GLU730 4.9 45.5 1.0
C F:PHE341 5.0 42.0 1.0

Molybdenum binding site 4 out of 4 in 2w3r

Go back to Molybdenum Binding Sites List in 2w3r
Molybdenum binding site 4 out of 4 in the Crystal Structure of Xanthine Dehydrogenase (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine


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 (Desulfo Form) From Rhodobacter Capsulatus in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mo1781

b:66.9
occ:0.70
 MO1 H:MOM1781 0.0 66.9 0.7
OM1 H:MOM1781 1.7 63.5 1.0
OM3 H:MOM1781 1.7 66.1 0.7
OM2 H:MOM1781 2.1 65.8 0.7
S2' H:MTE1778 2.3 65.4 0.7
S1' H:MTE1778 2.3 65.1 0.7
OE2 H:GLU730 3.2 45.6 1.0
C1' H:MTE1778 3.3 64.1 0.7
C2' H:MTE1778 3.3 64.0 0.7
CD H:GLU730 3.8 45.5 1.0
CA H:GLY229 4.0 39.9 1.0
CB H:ALA528 4.1 43.2 1.0
CA H:ALA528 4.2 43.1 1.0
N H:ARG342 4.2 42.5 1.0
N H:GLY229 4.2 39.8 1.0
N H:ALA529 4.3 44.4 1.0
CA H:ARG342 4.3 42.8 1.0
CG H:GLU730 4.4 45.0 1.0
O H:PHE228 4.4 39.8 1.0
OE1 H:GLU730 4.5 45.5 1.0
C H:PHE228 4.5 39.8 1.0
C6 H:MTE1778 4.6 63.1 0.7
NE2 H:GLN197 4.6 37.8 1.0
C3' H:MTE1778 4.7 63.0 0.7
C H:ALA528 4.8 43.7 1.0
OE2 H:GLU232 4.8 42.9 1.0
O H:THR527 5.0 41.6 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 05:17:30 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy