Molybdenum in PDB 2xts: Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus

All present enzymatic activity of Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus:
1.8.2.1;

The structure of Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus, PDB code: 2xts was solved by U.Zander, A.Faust, B.U.Klink, D.De Sanctis, S.Panjikar, A.Quentmeier, F.Bardischewski, C.G.Friedrich, A.J.Scheidig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 1.33
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	122.970, 122.970, 76.390, 90.00, 90.00, 120.00
R / Rfree (%)	10.699 / 11.11

The structure of Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus also contains other interesting chemical elements:

Cobalt	(Co)	2 atoms
Iron	(Fe)	2 atoms
Calcium	(Ca)	6 atoms

The binding sites of Molybdenum atom in the Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus (pdb code 2xts). 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 the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus, PDB code: 2xts:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus


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 the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo501 b:2.8 occ:1.00 MO A:2MO501 0.0 2.8 1.0 OT1 A:2MO501 1.8 3.0 1.0 OT2 A:2MO501 2.0 3.2 1.0 S1' A:MTE500 2.4 2.5 1.0 S2' A:MTE500 2.4 2.4 1.0 SG A:CYS160 2.4 8.2 1.0 C2' A:MTE500 3.3 1.3 1.0 C1' A:MTE500 3.3 1.6 1.0 CB A:CYS160 3.5 7.3 1.0 CA A:CYS160 3.7 6.7 1.0 OH A:TYR286 3.7 10.7 1.0 N A:ASN261 3.9 5.7 1.0 N A:ALA161 4.0 7.9 1.0 CE1 A:TYR286 4.0 9.2 1.0 CG A:ARG114 4.2 8.1 1.0 CZ A:TYR286 4.2 8.5 1.0 CB A:ASN261 4.3 5.8 1.0 CA A:ASN261 4.3 5.5 1.0 C A:CYS160 4.3 7.3 1.0 NE A:ARG114 4.3 7.9 1.0 C A:GLY260 4.5 5.7 1.0 CD A:ARG114 4.6 7.7 1.0 CB A:ARG114 4.7 6.7 1.0 C3' A:MTE500 4.8 1.7 1.0 C6 A:MTE500 4.8 2.1 1.0 O A:HOH2297 4.9 14.9 1.0 CA A:GLY260 4.9 6.3 1.0 O A:HOH2298 4.9 23.7 1.0 ND2 A:ASN261 4.9 7.8 1.0 N A:ALA162 5.0 7.1 1.0 CB A:ALA161 5.0 8.4 1.0

Molybdenum binding site 2 out of 2 in the Crystal Structure of the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus


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 the Sulfane Dehydrogenase Soxcd From Paracoccus Pantotrophus within 5.0Å range: probe atom residue distance (Å) B Occ C:Mo501 b:2.7 occ:1.00 MO C:2MO501 0.0 2.7 1.0 OT2 C:2MO501 1.8 3.0 1.0 OT1 C:2MO501 1.9 3.2 1.0 S1' C:MTE500 2.4 2.3 1.0 S2' C:MTE500 2.4 2.3 1.0 SG C:CYS160 2.4 7.9 1.0 C1' C:MTE500 3.3 1.5 1.0 C2' C:MTE500 3.3 1.4 1.0 CB C:CYS160 3.5 6.6 1.0 CA C:CYS160 3.7 7.0 1.0 OH C:TYR286 3.8 10.8 1.0 N C:ASN261 3.9 5.2 1.0 N C:ALA161 4.0 7.1 1.0 CE2 C:TYR286 4.0 8.5 1.0 CG C:ARG114 4.2 6.9 1.0 CZ C:TYR286 4.2 9.1 1.0 CA C:ASN261 4.3 6.1 1.0 CB C:ASN261 4.3 6.1 1.0 NE C:ARG114 4.3 8.5 1.0 C C:CYS160 4.3 6.8 1.0 C C:GLY260 4.5 5.3 1.0 CD C:ARG114 4.6 7.1 1.0 CB C:ARG114 4.7 6.4 1.0 C6 C:MTE500 4.8 2.0 1.0 C3' C:MTE500 4.8 1.7 1.0 O C:HOH2304 4.8 14.1 1.0 CA C:GLY260 4.8 5.7 1.0 O C:HOH2154 4.9 24.1 1.0 ND2 C:ASN261 4.9 7.0 1.0 N C:ALA162 5.0 6.9 1.0

U.Zander, A.Faust, B.U.Klink, D.De Sanctis, S.Panjikar, A.Quentmeier, F.Bardischewsky, C.G.Friedrich, A.J.Scheidig. Structural Basis For the Oxidation of Protein- Bound Sulfur By the Sulfur Cycle Molybdohemo- Enzyme Sulfane Dehydrogenase Soxcd. J.Biol.Chem. V. 286 8349 2011.
ISSN: ISSN 0021-9258
PubMed: 21147779
DOI: 10.1074/JBC.M110.193631