Structure of PDB 4mgj Chain A Binding Site BS02

Receptor Information
>4mgj Chain A (length=452) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLPPGPSPLPVLGNLLQMFLRLREKYGDVFTVYLGSRPVVVLCGTDAIR
EALVDQAEAFSGRGKIAVVDPIFQGYGVIFANGERWRALRRFSLATMRDF
RSVEERIQEEARCLVEELRKSKGALLDNTLLFHSITSNIICSIVFGKRFD
YKDPVFLRLLDLFFQSFSLISSFSSQVFELFPGFLKYFPGTHRQIYRNLQ
EINTFIGQSVEKHRATLDPSNPRDFIDVYLLRMEKDKSDPSSEFHHQNLI
LTVLSLFFAGTETTSTTLRYGFLLMLKYPHVTERVQKEIEQVIGSHRPPA
LDDRAKMPYTDAVIHEIQRLGDLIPFGVPHTVTKDTQFRGYVIPKNTEVF
PVLSSALHDPRYFETPNTFNPGHFLDANGALKRNEGFMPHSLGKRICLGE
GIARTELFLFFTTILQNFSIASPVPPEDIDLTPRESGVGNVPPSYQIRFL
AR
Ligand information
Ligand IDCPZ
InChIInChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKeyDVKIFCXVRCGAEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc2ccc(c1cncn1)cc2
CACTVS 3.341Clc1ccc(cc1)c2[nH]cnc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cnc[nH]2)Cl
FormulaC9 H7 Cl N2
Name4-(4-CHLOROPHENYL)IMIDAZOLE
ChEMBLCHEMBL1231913
DrugBankDB02974
ZINCZINC000005974211
PDB chain4mgj Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mgj Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		F297 A298 T302 V367 V477
Binding residue
(residue number reindexed from 1)		F258 A259 T263 V328 V438
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008392 arachidonate epoxygenase activity
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
GO:0070330 aromatase activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0019373 epoxygenase P450 pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mgj, PDBe:4mgj, PDBj:4mgj
PDBsum4mgj
PubMed25029089
UniProtP00178|CP2B4_RABIT Cytochrome P450 2B4 (Gene Name=CYP2B4)

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