Structure of PDB 1j51 Chain B Binding Site BS02

Receptor Information
>1j51 Chain B (length=405) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCN
GGHWIATRGQLIREAYEDYRHFSSECPWIPREAGEAFDFIPTSMDPPEQR
QFRALANQVVGMPVVDKLENRIQELACSLIESLRPQGQCNFTEDYAEPFP
IRIFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIE
QRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLLGGLDTVVNFLSF
SMEFLAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHG
VQLKKGDQILLPQMLSGLDERENAAPMHVDFSRQKVSHTTFGHGSHLCLG
QHLARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPA
TTKAV
Ligand information
Ligand IDTCZ
InChIInChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyXKEFYDZQGKAQCN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Clc1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1Cl)Cl)Cl
FormulaC6 H3 Cl3
Name1,3,5-TRICHLORO-BENZENE
ChEMBLCHEMBL44228
DrugBankDB03836
ZINCZINC000000391973
PDB chain1j51 Chain B Residue 2450 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j51 Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W87 F96 L244 V295
Binding residue
(residue number reindexed from 1)		W78 F87 L235 V286
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R186 G248 D251 T252 V253 C357 L358 G359 E366 V396
Catalytic site (residue number reindexed from 1) R177 G239 D242 T243 V244 C348 L349 G350 E357 V387
Enzyme Commision number 1.14.15.1: camphor 5-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0018683 camphor 5-monooxygenase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0019383 (+)-camphor catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j51, PDBe:1j51, PDBj:1j51
PDBsum1j51
PubMed12114516
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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