Structure of PDB 3wrk Chain A Binding Site BS02

Receptor Information
>3wrk Chain A (length=391) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCN
GGHWIATRGQLIREAYEDYRHFSSECPFIPREQRQFRALANQVVGMPVVD
KLENRIQELACSLIESLRPQGQCNFTEDYAEPFPIRIFMLLAGLPEEDIP
HLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIEQRRQKPGTDAISIVAN
GQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSMEFLAKSPEHRQELI
ERPERIPAACEELLRRFSLVADGRILTSDYEFHGVQLKKGDQILLPQMLS
GLDERENACPMHVDFSRQKVSHTTFGHGSHLCLGQHLARREIIVTLKEWL
TRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPATTKAVHH
Ligand information
Ligand IDCAM
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKeyDSSYKIVIOFKYAU-XCBNKYQSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1(C)[CH]2CC[C]1(C)C(=O)C2
CACTVS 3.341CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
ACDLabs 10.04O=C1CC2CCC1(C)C2(C)C
OpenEye OEToolkits 1.5.0CC1(C2CCC1(C(=O)C2)C)C
OpenEye OEToolkits 1.5.0CC1([C@@H]2CC[C@]1(C(=O)C2)C)C
FormulaC10 H16 O
NameCAMPHOR
ChEMBLCHEMBL504760
DrugBankDB01744
ZINCZINC000000967520
PDB chain3wrk 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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PDB3wrk Structure of P450cam intermedite
Resolution2.609 Å
Binding residue
(original residue number in PDB)		F87 G248
Binding residue
(residue number reindexed from 1)		F78 G223
Annotation score5
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) R161 G223 D226 T227 V228 C332 L333 G334 E341 V371
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:3wrk, PDBe:3wrk, PDBj:3wrk
PDBsum3wrk
PubMed
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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