Tungsten in PDB 3d31: Modbc From Methanosarcina Acetivorans

The structure of Modbc From Methanosarcina Acetivorans, PDB code: 3d31 was solved by S.Gerber, M.Comellas-Bigler, K.P.Locher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.840, 139.460, 207.330, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 28.2

The binding sites of Tungsten atom in the Modbc From Methanosarcina Acetivorans (pdb code 3d31). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Modbc From Methanosarcina Acetivorans, PDB code: 3d31:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the Modbc From Methanosarcina Acetivorans


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Modbc From Methanosarcina Acetivorans within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:69.1 occ:1.00 W A:WO4401 0.0 69.1 1.0 O4 A:WO4401 1.7 69.1 1.0 O3 A:WO4401 1.7 69.1 1.0 O1 A:WO4401 1.7 69.1 1.0 O2 A:WO4401 1.7 69.1 1.0 O A:SER286 2.6 87.3 1.0 NZ A:LYS340 3.4 42.9 1.0 CG A:LYS340 3.6 42.9 1.0 N A:ALA341 3.7 47.9 1.0 CG2 B:THR320 3.8 73.1 1.0 C A:SER286 3.8 87.3 1.0 OG1 B:THR320 4.0 73.1 1.0 OG A:SER342 4.1 84.7 1.0 CB A:ALA341 4.2 32.1 1.0 N B:THR320 4.2 70.8 1.0 N A:SER342 4.3 61.6 1.0 CE A:LYS340 4.3 42.9 1.0 OG B:SER323 4.3 66.2 1.0 CA A:ALA341 4.4 47.9 1.0 CB B:THR320 4.5 73.1 1.0 N A:ARG288 4.5 61.6 1.0 CA A:ILE287 4.5 66.7 1.0 CD A:LYS340 4.5 42.9 1.0 CA A:LYS340 4.5 73.3 1.0 CG2 B:ILE319 4.6 67.6 1.0 C A:LYS340 4.6 73.3 1.0 N A:ILE287 4.6 66.7 1.0 CB A:LYS340 4.6 42.9 1.0 OG A:SER286 4.6 0.4 1.0 CG A:ARG288 4.7 99.3 1.0 CA B:ILE319 4.7 67.5 1.0 CB A:SER342 4.8 84.7 1.0 CB B:SER323 4.8 66.2 1.0 CA A:SER286 4.9 87.3 1.0 C A:ALA341 4.9 47.9 1.0 CB A:SER286 4.9 0.4 1.0 CB A:ARG288 5.0 99.3 1.0 CA B:THR320 5.0 70.8 1.0 C B:ILE319 5.0 67.5 1.0

Tungsten binding site 2 out of 2 in the Modbc From Methanosarcina Acetivorans


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Modbc From Methanosarcina Acetivorans within 5.0Å range: probe atom residue distance (Å) B Occ B:W402 b:83.3 occ:1.00 W B:WO4402 0.0 83.3 1.0 O2 B:WO4402 1.7 83.3 1.0 O3 B:WO4402 1.7 83.3 1.0 O1 B:WO4402 1.7 83.3 1.0 O4 B:WO4402 1.7 83.3 1.0 O B:SER286 2.5 65.4 1.0 C B:SER286 3.5 65.4 1.0 N B:ALA341 3.7 58.2 1.0 NZ B:LYS340 3.8 76.6 1.0 CG2 A:THR320 3.8 0.4 1.0 CG B:LYS340 3.8 76.6 1.0 OG1 A:THR320 4.0 0.4 1.0 N A:THR320 4.0 94.8 1.0 N B:ARG288 4.1 68.8 1.0 CB B:ALA341 4.1 4.2 1.0 CA B:ILE287 4.1 64.6 1.0 N B:ILE287 4.2 64.6 1.0 OG B:SER286 4.4 70.8 1.0 CG B:ARG288 4.4 0.9 1.0 CA B:ALA341 4.4 58.2 1.0 CB A:THR320 4.4 0.4 1.0 OG A:SER323 4.5 71.5 1.0 CA B:LYS340 4.5 70.7 1.0 CB B:SER286 4.5 70.8 1.0 CG2 A:ILE319 4.5 57.8 1.0 N B:SER342 4.5 93.6 1.0 CA B:SER286 4.5 65.4 1.0 OG B:SER342 4.5 87.7 1.0 C B:LYS340 4.6 70.7 1.0 CA A:ILE319 4.6 82.0 1.0 CB B:ARG288 4.6 0.9 1.0 C B:ILE287 4.6 64.6 1.0 CE B:LYS340 4.7 76.6 1.0 CB B:LYS340 4.7 76.6 1.0 CD B:LYS340 4.8 76.6 1.0 C A:ILE319 4.8 82.0 1.0 CA A:THR320 4.9 94.8 1.0 CB A:ILE319 4.9 57.8 1.0 CG1 A:ILE319 4.9 57.8 1.0 CB A:SER323 5.0 71.5 1.0

S.Gerber, M.Comellas-Bigler, B.A.Goetz, K.P.Locher. Structural Basis of Trans-Inhibition in A Molybdate/Tungstate Abc Transporter. Science V. 321 246 2008.
ISSN: ISSN 0036-8075
PubMed: 18511655
DOI: 10.1126/SCIENCE.1156213