Structure of PDB 8q6y Chain A Binding Site BS03

Receptor Information
>8q6y Chain A (length=389) Species: 68223 (Streptomyces katrae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILDFPFTWDGTHLPAQIGELAPVVKVRTIAGAEAWLVSSYELVKQVLEDD
RFSLKNTSDPGVPRQYALTIPPEVVNNMGNITGAGLRKAVMKAINPKAPG
LQEWMEEHAAELVERMLKHGAPVDIRSMFTDPFSEAMHCQILGIPHEAAP
LLSESLPIAFMNSPREIPAARLNWDRDIAYMTARLDDTEQGLIGDLAKLR
GTEGYEHVSDEMFATVGVTLFGAGVISTAGFLAMALVTLLTHPEEADHLA
DHPELMPQAVDELLRINLSIGDGLPRLAMEDMTLGEVEVKKGELVLVLPE
GANFDPSVFPDPHRLDFTRANSSAHFSFGGGSHYCPATALGKKHAEIGLR
AVLAAMPRLRLAVPVEQLVWRTGFMKRLPERLPVMWGSG
Ligand information
Ligand IDHPA
InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyFDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1c2c(N=CN1)ncn2
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)N=CNC2=O
CACTVS 3.341O=C1NC=Nc2nc[nH]c12
FormulaC5 H4 N4 O
NameHYPOXANTHINE
ChEMBLCHEMBL1427
DrugBankDB04076
ZINCZINC000018153302
PDB chain8q6y Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q6y Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity
Resolution1.81 Å
Binding residue
(original residue number in PDB)		I277 D279 L281 M382 K383
Binding residue
(residue number reindexed from 1)		I270 D272 L274 M375 K376
Annotation score1
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0008395 steroid hydroxylase activity
GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
GO:0046872 metal ion binding
Biological Process
GO:0006707 cholesterol catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8q6y, PDBe:8q6y, PDBj:8q6y
PDBsum8q6y
PubMed
UniProtA0A0F4JF04

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