Structure of PDB 3d31 Chain B Binding Site BS01

Receptor Information

>3d31 Chain B (length=348) Species: 188937 (Methanosarcina acetivorans C2A)

MIEIESLSRKWKNFSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFH
VPDSGRILLDGKDVTDLSPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMK
KIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILL
LDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAV
VMDGKLIQVGKPEEIFEKPVEGRVASFVGFENVLKGRVISAEQGLLRIRV
GEVVIDAAGDMEVGDQVYAFLRPENIALSKSSTQSSIRNSLQGRVTEAWV
LGALVRVKVDCGVPLNVLITRRSAEEMELSPGVQIYARFKASSVHVLR

Ligand information

• Ligand ID: WO4
• InChI: InChI=1S/4O.W/q;;2*-1;
• InChIKey: PBYZMCDFOULPGH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-][W](=O)(=O)[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-][W]([O-])(=O)=O
• Formula: O4 W
• Name: TUNGSTATE(VI)ION
• PDB chain: 3d31 Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3d31 Structural basis of trans-inhibition in a molybdate/tungstate ABC transporter.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): S286 I287 R288 K340 A341 S342
• Binding residue (residue number reindexed from 1): S286 I287 R288 K340 A341 S342
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.3.2.6: ABC-type tungstate transporter.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity

Biological Process

• GO:0015689 molybdate ion transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

External links

• PDB: RCSB:3d31, PDBe:3d31, PDBj:3d31
• PDBsum: 3d31
• PubMed: 18511655
• UniProt: Q8TTZ3