Structure of PDB 8q6y Chain B Binding Site BS03

Receptor Information
>8q6y Chain B (length=388) 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
AVLAAMPRLRLAVPVEQLVWRTGFMKRLPERLPVMWGS
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 B Residue 505 [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)		T76 I77 F167 V225
Binding residue
(residue number reindexed from 1)		T69 I70 F160 V218
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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