Structure of PDB 6ku2 Chain E Binding Site BS03

Receptor Information

>6ku2 Chain E (length=428) Species: 1092 (Chlorobium limicola)

MYDHTEITTDSLLALLGSEKVKIIDVRSADAYNGWRMRGEVRGGHIKGAK
SLPAKWLTDPEWLNIVRFKQIRPEDAIVLYGYTPEECEQTATRFKENGYN
NVSVFHRFHPDWTGNDAFPMDRLEQYNRLVPAEWVNGLISGEEIPEYDND
TFIVCHAHYRNRDAYLSGHIPGATDMDTLALESPETWNRRTPEELKKALE
EHGITASTTVVLYGKFMHPDNADEFPGSAAGHIGAIRLAFIMMYAGVEDV
RVLNGGYQSWTDAGFAISKDDVPKTTVPEFGAPIPSRPEFAVDIDEAKEM
LQSEDSDLVCVRSYPEYIGEVSGANYIKKKGRIPGAIFAECGSDAYHMEN
YRNHDHTTREYHEIEDIWAKSGIIPKKHLAFYCGTGWRGSEAWFNALLMG
WPRVSVYDGGWFEWSNDPENPYETGVPK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6ku2 Chain E Residue 508

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ku2 Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): H74 D150 H391
• Binding residue (residue number reindexed from 1): H45 D121 H362
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E345 C412 G413 T414 G415 W416 R417 G439
• Catalytic site (residue number reindexed from 1): E316 C383 G384 T385 G386 W387 R388 G410

Gene Ontology

Molecular Function

• GO:0004792 thiosulfate sulfurtransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6ku2, PDBe:6ku2, PDBj:6ku2
• PDBsum: 6ku2
• UniProt: B3ECE3