Structure of PDB 8cve Chain A Binding Site BS03

Receptor Information
>8cve Chain A (length=324) Species: 33113 (Atropa belladonna) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSESFVAPLEKRAENDVPLGNDVPIIDLQQDHLVVVQQITKACQDFGLFQ
VINHGLPEKLMAETMDVCKEFFALPAEEKEKLQPKGEPAKFELPLEQKAK
LYVEGEQAFLYWKDTLAHGCHPLDEELVNSWPEKPATYREVVAKYSVEVR
KLTMRILDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGSGG
HYDGNLITLLQQNLPGLQQLIAKWIAVEPIPTAFVVNLGLTLKVITNEKF
EGSIHRVVTNPTRDRVSIATFIGPDYSCTIEPAKELLSQDNPPLYKPYSY
AEFGEIYLSDKSDYDAGVKPYKIN
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 chain8cve Chain A Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cve Structure of the L289F H6H hydroxylation reactant complex
Resolution1.53 Å
Binding residue
(original residue number in PDB)		N200 Y202 H217 H273 V275 R283 S285 F289
Binding residue
(residue number reindexed from 1)		N184 Y186 H201 H255 V257 R265 S267 F271
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:8cve, PDBe:8cve, PDBj:8cve
PDBsum8cve
PubMed
UniProtQ9XJ43

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