Structure of PDB 5o9w Chain A Binding Site BS01

Receptor Information
>5o9w Chain A (length=356) Species: 3469 (Papaver somniferum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCALLPMGETIPVI
DIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQ
GFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHL
RKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMS
EVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQI
KREGTWISVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSI
ATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSF
LDSMRI
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 chain5o9w Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o9w Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N221 Y223 L235 H238 L247 H295 R305 S307
Binding residue
(residue number reindexed from 1)		N213 Y215 L227 H230 L239 H287 R297 S299
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.31: thebaine 6-O-demethylase.
2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0030782 (S)-tetrahydroprotoberberine N-methyltransferase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0102802 thebaine 6-O-demethylase activity
Biological Process
GO:0009820 alkaloid metabolic process
GO:0032259 methylation
GO:0097295 morphine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5o9w, PDBe:5o9w, PDBj:5o9w
PDBsum5o9w
PubMed29408320
UniProtD4N500|DIOX1_PAPSO Thebaine 6-O-demethylase (Gene Name=T6ODM)

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