Tungsten in PDB 1gug: Mopii From Clostridium Pasteurianum Complexed with Tungstate

The structure of Mopii From Clostridium Pasteurianum Complexed with Tungstate, PDB code: 1gug was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.61 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.373, 78.514, 94.839, 90.00, 90.00, 90.00
R / Rfree (%)	15.433 / 18.254

The structure of Mopii From Clostridium Pasteurianum Complexed with Tungstate also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Tungsten atom in the Mopii From Clostridium Pasteurianum Complexed with Tungstate (pdb code 1gug). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 8 binding sites of Tungsten where determined in the Mopii From Clostridium Pasteurianum Complexed with Tungstate, PDB code: 1gug:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Tungsten binding site 1 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ A:W1069 b:10.4 occ:1.00 W A:WO41069 0.0 10.4 1.0 O2 A:WO41069 1.7 10.1 1.0 O3 A:WO41069 1.8 10.8 1.0 O4 A:WO41069 1.8 9.2 1.0 O1 A:WO41069 1.8 11.3 1.0 N A:SER40 4.0 13.9 1.0 CB A:ILE39 4.0 11.2 1.0 CG2 A:ILE39 4.2 14.3 1.0 OG A:SER40 4.3 14.4 1.0 CA A:ILE39 4.4 12.3 1.0 OG A:SER43 4.5 15.7 1.0 CB A:SER40 4.6 15.2 1.0 C A:ILE39 4.7 13.3 1.0 CA A:SER40 4.9 14.8 1.0 CB A:SER43 5.0 16.9 1.0

Tungsten binding site 2 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ A:W1070 b:11.9 occ:1.00 W A:WO41070 0.0 11.9 1.0 O4 A:WO41070 1.7 12.9 1.0 O2 A:WO41070 1.7 10.2 1.0 O3 A:WO41070 1.8 13.1 1.0 O1 A:WO41070 1.8 11.8 1.0 OG1 B:THR22 3.7 12.1 1.0 OG1 C:THR22 3.7 10.3 1.0 OG1 A:THR22 3.8 11.2 1.0 N A:VAL20 4.5 13.5 1.0 N B:VAL21 4.5 12.1 1.0 N A:VAL21 4.5 12.4 1.0 N B:THR22 4.5 12.0 1.0 N B:VAL20 4.5 13.7 1.0 N C:VAL21 4.5 12.7 1.0 N A:THR22 4.5 11.7 1.0 N C:THR22 4.5 12.4 1.0 N C:VAL20 4.6 13.3 1.0 CB C:VAL21 4.8 13.1 1.0 CB A:VAL21 4.9 13.0 1.0 CB B:VAL21 4.9 11.5 1.0 CB B:THR22 4.9 11.3 1.0 CB A:THR22 4.9 11.8 1.0 CB C:THR22 4.9 11.5 1.0 CB A:VAL20 5.0 13.0 1.0

Tungsten binding site 3 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ B:W1069 b:9.8 occ:1.00 W B:WO41069 0.0 9.8 1.0 O2 B:WO41069 1.7 9.4 1.0 O4 B:WO41069 1.8 7.8 1.0 O3 B:WO41069 1.8 8.5 1.0 O1 B:WO41069 1.8 11.0 1.0 N B:SER40 4.0 13.8 1.0 CB B:ILE39 4.1 12.2 1.0 CG2 B:ILE39 4.2 14.6 1.0 OG B:SER40 4.4 14.3 1.0 CA B:ILE39 4.4 12.6 1.0 OG B:SER43 4.5 15.6 1.0 CB B:SER40 4.7 15.3 1.0 C B:ILE39 4.7 13.3 1.0 CA B:SER40 5.0 14.9 1.0

Tungsten binding site 4 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ C:W1071 b:12.1 occ:1.00 W C:WO41071 0.0 12.1 1.0 O4 C:WO41071 1.7 13.2 1.0 O2 C:WO41071 1.7 11.7 1.0 O3 C:WO41071 1.8 12.5 1.0 O1 C:WO41071 1.8 11.1 1.0 N C:SER40 4.0 13.7 1.0 CB C:ILE39 4.1 13.2 1.0 CG2 C:ILE39 4.2 14.7 1.0 OG C:SER40 4.3 15.3 1.0 CA C:ILE39 4.4 13.1 1.0 OG C:SER43 4.5 16.4 1.0 CB C:SER40 4.6 15.5 1.0 C C:ILE39 4.7 13.5 1.0 CA C:SER40 4.9 14.9 1.0

Tungsten binding site 5 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ D:W1069 b:10.4 occ:1.00 W D:WO41069 0.0 10.4 1.0 O2 D:WO41069 1.7 11.7 1.0 O3 D:WO41069 1.8 12.3 1.0 O4 D:WO41069 1.8 9.7 1.0 O1 D:WO41069 1.8 11.2 1.0 N D:SER40 4.0 13.9 1.0 CB D:ILE39 4.0 11.4 1.0 CG2 D:ILE39 4.2 14.4 1.0 OG D:SER40 4.3 14.4 1.0 CA D:ILE39 4.4 12.7 1.0 OG D:SER43 4.5 15.6 1.0 CB D:SER40 4.6 15.2 1.0 C D:ILE39 4.7 13.2 1.0 CA D:SER40 4.9 14.8 1.0

Tungsten binding site 6 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ D:W1070 b:11.9 occ:1.00 W D:WO41070 0.0 11.9 1.0 O2 D:WO41070 1.7 13.2 1.0 O3 D:WO41070 1.7 10.8 1.0 O4 D:WO41070 1.8 12.5 1.0 O1 D:WO41070 1.8 12.4 1.0 OG1 D:THR22 3.7 10.8 1.0 OG1 F:THR22 3.7 11.1 1.0 OG1 E:THR22 3.8 12.6 1.0 N E:VAL21 4.4 11.9 1.0 N E:THR22 4.4 11.8 1.0 N D:VAL21 4.5 12.4 1.0 N D:THR22 4.5 11.3 1.0 N D:VAL20 4.5 13.3 1.0 N E:VAL20 4.5 13.6 1.0 N F:VAL21 4.5 12.4 1.0 N F:THR22 4.5 12.1 1.0 N F:VAL20 4.6 13.6 1.0 CB F:VAL21 4.8 12.9 1.0 CB D:VAL21 4.8 12.1 1.0 CB E:VAL21 4.9 11.6 1.0 CB F:THR22 4.9 11.4 1.0 CB D:THR22 4.9 12.2 1.0 CB E:THR22 4.9 12.0 1.0 CB D:VAL20 5.0 13.0 1.0

Tungsten binding site 7 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ E:W1069 b:9.8 occ:1.00 W E:WO41069 0.0 9.8 1.0 O2 E:WO41069 1.7 9.9 1.0 O3 E:WO41069 1.8 7.5 1.0 O4 E:WO41069 1.8 8.7 1.0 O1 E:WO41069 1.8 11.5 1.0 N E:SER40 4.0 13.8 1.0 CB E:ILE39 4.1 12.2 1.0 CG2 E:ILE39 4.2 14.8 1.0 OG E:SER40 4.3 14.4 1.0 CA E:ILE39 4.4 12.8 1.0 OG E:SER43 4.5 15.3 1.0 CB E:SER40 4.7 15.5 1.0 C E:ILE39 4.7 13.3 1.0 CA E:SER40 5.0 14.8 1.0

Tungsten binding site 8 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Mopii From Clostridium Pasteurianum Complexed with Tungstate within 5.0Å range: probe atom residue distance (Å) B Occ F:W1071 b:12.1 occ:1.00 W F:WO41071 0.0 12.1 1.0 O2 F:WO41071 1.7 11.8 1.0 O4 F:WO41071 1.7 13.4 1.0 O3 F:WO41071 1.8 12.9 1.0 O1 F:WO41071 1.8 11.8 1.0 N F:SER40 3.9 14.0 1.0 CB F:ILE39 4.1 13.5 1.0 CG2 F:ILE39 4.2 14.7 1.0 OG F:SER40 4.3 15.2 1.0 CA F:ILE39 4.4 13.3 1.0 OG F:SER43 4.5 16.0 1.0 CB F:SER40 4.6 15.5 1.0 C F:ILE39 4.7 13.4 1.0 CA F:SER40 4.9 14.8 1.0 CB F:SER43 5.0 17.1 1.0

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200