Structure of PDB 8cvh Chain A Binding Site BS02

Receptor Information

>8cvh Chain A (length=326) Species: 33113 (Atropa belladonna)

VSESFVAPLEKRAENDVPLGNDVPIIDLQQDHLVVVQQITKACQDFGLFQ
VINHGLPEKLMAETMDVCKEFFALPAEEKEKLQPKGEPAKFELPLEQKAK
LYVEGEQLEAFLYWKDTLAHGCHPLDEELVNSWPEKPATYREVVAKYSVE
VRKLTMRILDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGS
GGHYDGNLITLLQQNLPGLQQLIAKWIAVEPIPTAFVVNLGLTLKVITNE
KFEGSIHRVVTNPTRDRVSIATFIGPDYSCTIEPAKELLSQDNPPLYKPY
SYAEFGEIYLSDKSDYDAGVKPYKIN

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: 8cvh Chain A Residue 414

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cvh Structure of the L289F H6H cyclization ferryl-mimicking complex
• Resolution: 2.03 Å
• Binding residue (original residue number in PDB): H217 D219 H273
• Binding residue (residue number reindexed from 1): H203 D205 H257
• 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:8cvh, PDBe:8cvh, PDBj:8cvh
• PDBsum: 8cvh
• UniProt: Q9XJ43