Molybdenum in PDB 1eu1: The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments.

The structure of The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments., PDB code: 1eu1 was solved by H.K.Li, K.Temple, K.V.Rajagopalan, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.176, 141.718, 59.812, 90.00, 90.00, 90.00
R / Rfree (%)	12.1 / 14.5

The structure of The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments. also contains other interesting chemical elements:

Cadmium

(Cd)

1 atom

The binding sites of Molybdenum atom in the The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments. (pdb code 1eu1). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments., PDB code: 1eu1:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments.


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo3000 b:11.2 occ:0.60 MO A:6MO3000 0.0 11.2 0.6 MO A:6MO3000 1.6 12.5 0.4 O A:O3002 1.7 11.0 0.6 O A:O3001 1.8 11.8 0.4 OG A:SER147 1.9 8.8 0.6 S12 A:MGD1001 1.9 9.0 0.4 O A:O3001 2.0 17.7 0.6 OG A:SER147 2.2 12.2 0.4 S12 A:MGD1001 2.4 7.6 0.6 S13 A:MGD1001 2.5 8.1 0.6 S13 A:MGD1001 2.7 8.5 0.4 OH A:TYR114 2.8 10.1 0.4 C12 A:MGD1001 3.0 8.0 0.4 CB A:SER147 3.1 10.6 0.4 CB A:SER147 3.2 9.8 0.6 C13 A:MGD1001 3.3 7.8 0.4 N A:SER147 3.4 9.4 1.0 C13 A:MGD1001 3.4 7.0 0.6 C12 A:MGD1001 3.4 7.6 0.6 S13 A:MGD1002 3.6 10.9 0.6 CA A:SER147 3.6 9.4 1.0 O8 A:EPE2001 3.7 23.8 0.6 OH A:TYR114 3.8 14.4 0.6 S13 A:MGD1002 3.8 9.2 0.4 S12 A:MGD1002 3.8 10.1 0.4 C A:TYR146 3.9 9.2 1.0 CZ A:TYR114 4.0 9.1 0.4 NE1 A:TRP116 4.0 11.9 1.0 C8 A:EPE2001 4.1 23.5 0.6 N A:TYR146 4.2 8.8 1.0 CB A:TYR146 4.3 8.9 1.0 CA A:TYR146 4.3 8.8 1.0 CE2 A:TYR114 4.3 13.4 0.6 C11 A:MGD1001 4.4 7.9 0.4 CZ A:TYR114 4.5 13.5 0.6 CE2 A:TYR114 4.5 9.1 0.4 S12 A:MGD1002 4.5 11.4 0.6 O A:TYR146 4.7 9.3 1.0 C14 A:MGD1001 4.7 8.2 0.4 C14 A:MGD1001 4.8 7.4 0.6 CD1 A:TRP116 4.8 10.4 1.0 C11 A:MGD1001 4.8 7.5 0.6 OD2 A:ASP145 4.9 10.7 1.0 CB A:ASP145 4.9 9.4 1.0

Molybdenum binding site 2 out of 2 in the The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments.


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of The Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo3000 b:12.5 occ:0.40 MO A:6MO3000 0.0 12.5 0.4 MO A:6MO3000 1.6 11.2 0.6 O A:O3001 1.8 17.7 0.6 OG A:SER147 1.8 12.2 0.4 OG A:SER147 2.1 8.8 0.6 O A:O3001 2.1 11.8 0.4 S13 A:MGD1002 2.2 10.9 0.6 S12 A:MGD1001 2.4 9.0 0.4 S12 A:MGD1002 2.4 10.1 0.4 S13 A:MGD1001 2.4 8.1 0.6 S13 A:MGD1002 2.4 9.2 0.4 S13 A:MGD1001 2.5 8.5 0.4 S12 A:MGD1001 2.9 7.6 0.6 S12 A:MGD1002 3.2 11.4 0.6 CB A:SER147 3.2 10.6 0.4 O A:O3002 3.3 11.0 0.6 CB A:SER147 3.3 9.8 0.6 C13 A:MGD1001 3.4 7.8 0.4 C12 A:MGD1001 3.4 8.0 0.4 C13 A:MGD1002 3.5 8.8 0.4 C12 A:MGD1002 3.5 9.4 0.4 C13 A:MGD1001 3.5 7.0 0.6 C13 A:MGD1002 3.6 9.8 0.6 C12 A:MGD1001 3.7 7.6 0.6 C12 A:MGD1002 3.9 10.2 0.6 NE1 A:TRP116 3.9 11.9 1.0 CA A:SER147 3.9 9.4 1.0 N A:SER147 4.2 9.4 1.0 CE1 A:HIS649 4.2 10.1 1.0 CE1 A:HIS643 4.2 10.6 1.0 C8 A:EPE2001 4.3 23.5 0.6 OH A:TYR114 4.3 10.1 0.4 O8 A:EPE2001 4.4 23.8 0.6 NE2 A:HIS649 4.4 10.4 1.0 CE2 A:TRP116 4.7 10.2 1.0 CZ2 A:TRP116 4.8 10.7 1.0 CD1 A:TRP116 4.9 10.4 1.0 C A:TYR146 4.9 9.2 1.0 C14 A:MGD1001 4.9 8.2 0.4 C11 A:MGD1001 4.9 7.9 0.4 C14 A:MGD1002 4.9 9.7 0.6 C14 A:MGD1002 4.9 9.2 0.4 C11 A:MGD1002 5.0 9.4 0.4 C14 A:MGD1001 5.0 7.4 0.6 OH A:TYR114 5.0 14.4 0.6

H.K.Li, K.Temple, K.V.Rajagopalan, H.Schindelin. The 1.3 A Crystal Structure of Rhodobacter Sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments J.Am.Chem.Soc. V. 122 7673 2000.
ISSN: ISSN 0002-7863
DOI: 10.1021/JA000643E