Structure of PDB 8cvb Chain A Binding Site BS02

Receptor Information
>8cvb Chain A (length=325) Species: 33113 (Atropa belladonna) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSESFVAPLEKRAENDVPLGNDVPIIDLQQDHLVVVQQITKACQDFGLFQ
VINHGLPEKLMAETMDVCKEFFALPAEEKEKLQPKGEPAKFELPLEQKAK
LYVEGEQEAFLYWKDTLAHGCHPLDEELVNSWPEKPATYREVVAKYSVEV
RKLTMRILDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGSG
GHYDGNLITLLQQNLPGLQQLIAKWIAVEPIPTAFVVNLGLTLKVITNEK
FEGSIHRVVTNPTRDRVSIATLIGPDYSCTIEPAKELLSQDNPPLYKPYS
YAEFGEIYLSDKSDYDAGVKPYKIN
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain8cvb Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cvb Structure of the H6H cyclization reactant complex
Resolution1.532 Å
Binding residue
(original residue number in PDB)		N200 Y202 H217 L226 H273 V275 R283 S285
Binding residue
(residue number reindexed from 1)		N185 Y187 H202 L211 H256 V258 R266 S268
Annotation score5
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8cvb, PDBe:8cvb, PDBj:8cvb
PDBsum8cvb
PubMed
UniProtQ9XJ43

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