Structure of PDB 2rfc Chain D Binding Site BS02

Receptor Information
>2rfc Chain D (length=338) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNDPVHYDGAWHVYKYSDVKHVLMNDKIFSSNPGNRYSGISFITMDNPEH
KEFRDISAPYFLPSKINDYKDFIEETSNDLIKNIDNKDIISEYAVRLPVN
IISKILGIPDSDMPLFKLWSDYIIGNKRDENFNYVNNRMVSRLLEIFKSD
SHGIINVLAGSSLKNRKLTMDEKIKYIMLLIIGGNETTTNLIGNMIRVID
ENPDIIDDALKNRSGFVEETLRYYSPIQFLPHRFAAEDSYINNKKIKKGD
QVIVYLGSANRDETFFDEPDLFKIGRREMHLAFGIGIHMCLGAPLARLEA
SIALNDILNHFKRIKIDYKKSRLLDNKMVLGYDKLFLS
Ligand information
Ligand IDPIM
InChIInChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
InChIKeyXHLKOHSAWQPOFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cnc[nH]2
ACDLabs 10.04n2cc(c1ccccc1)nc2
CACTVS 3.341[nH]1cncc1c2ccccc2
FormulaC9 H8 N2
Name4-PHENYL-1H-IMIDAZOLE
ChEMBLCHEMBL14145
DrugBankDB03254
ZINCZINC000004692811
PDB chain2rfc Chain D Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2rfc Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		I196 G197 T201
Binding residue
(residue number reindexed from 1)		I182 G183 T187
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G139 G197 E200 T201 T202 I241 C304 L305 G306 E313 V343
Catalytic site (residue number reindexed from 1) G125 G183 E186 T187 T188 I227 C290 L291 G292 E299 V329
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0016712 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2rfc, PDBe:2rfc, PDBj:2rfc
PDBsum2rfc
PubMed18197710
UniProtQ6KZ68

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