Structure of PDB 8cvf Chain A Binding Site BS02

Receptor Information

>8cvf Chain A (length=324) Species: 33113 (Atropa belladonna)

VSESFVAPLEKRAENDVPLGNDVPIIDLQQDHLVVVQQITKACQDFGLFQ
VINHGLPEKLMAETMDVCKEFFALPAEEKEKLQPKGEPAKFELPLEQKAK
LYVEGEEAFLYWKDTLAHGCHPLDEELVNSWPEKPATYREVVAKYSVEVR
KLTMRILDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGSGG
HYDGNLITLLQQNLPGLQQLIAKWIAVEPIPTAFVVNLGLTLKVITNEKF
EGSIHRVVTNPTRDRVSIATFIGPDYSCTIEPAKELLSQDNPPLYKPYSY
AEFGEIYLSDKSDYDAGVKPYKIN

Ligand information

• Ligand ID: V
• InChI: InChI=1S/V/q+3
• InChIKey: KOKKJWHERHSKEB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [V+3]
• Formula: V
• Name: VANADIUM ION
• PDB chain: 8cvf Chain A Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cvf Structure of the L289F H6H ferryl-mimicking complex
• Resolution: 1.532 Å
• Binding residue (original residue number in PDB): H217 D219 H273
• Binding residue (residue number reindexed from 1): H201 D203 H255
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.11.11: hyoscyamine (6S)-dioxygenase.

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016706 2-oxoglutarate-dependent dioxygenase activity
• GO:0031418 L-ascorbic acid binding
• GO:0046872 metal ion binding
• GO:0047998 hyoscyamine (6S)-dioxygenase activity

Biological Process

• GO:0002238 response to molecule of fungal origin
• GO:0009805 coumarin biosynthetic process

External links

• PDB: RCSB:8cvf, PDBe:8cvf, PDBj:8cvf
• PDBsum: 8cvf
• UniProt: Q9XJ43