Structure of PDB 6ku2 Chain E Binding Site BS02

Receptor Information

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

MYDHTEITTDSLLALLGSEKVKIIDVRSADAYNGWRMRGEVRGGHIKGAK
SLPAKWLTDPEWLNIVRFKQIRPEDAIVLYGYTPEECEQTATRFKENGYN
NVSVFHRFHPDWTGNDAFPMDRLEQYNRLVPAEWVNGLISGEEIPEYDND
TFIVCHAHYRNRDAYLSGHIPGATDMDTLALESPETWNRRTPEELKKALE
EHGITASTTVVLYGKFMHPDNADEFPGSAAGHIGAIRLAFIMMYAGVEDV
RVLNGGYQSWTDAGFAISKDDVPKTTVPEFGAPIPSRPEFAVDIDEAKEM
LQSEDSDLVCVRSYPEYIGEVSGANYIKKKGRIPGAIFAECGSDAYHMEN
YRNHDHTTREYHEIEDIWAKSGIIPKKHLAFYCGTGWRGSEAWFNALLMG
WPRVSVYDGGWFEWSNDPENPYETGVPK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6ku2 Chain E Residue 503

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): W216 N217 T414 D437 G438
• Binding residue (residue number reindexed from 1): W187 N188 T385 D408 G409
• 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