Structure of PDB 3wrh Chain E Binding Site BS02

Receptor Information
>3wrh Chain E (length=405) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCN
GGHWIATRGQLIREAYEDYRHFSSECPFIPREAGEAYDFIPTSMDPPEQR
QFRALANQVVGMPVVDKLENRIQELACSLIESLRPQGQCNFTEDYAEPFP
IRIFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIE
QRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSF
SMEFLAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHG
VQLKKGDQILLPQMLSGLDERENACPMHVDFSRQKVSHTTFGHGSHLCLG
QHLARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPA
TTKAV
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 chain3wrh Chain E Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wrh Structure of P450cam intermedite
Resolution1.62 Å
Binding residue
(original residue number in PDB)		Y96 L244
Binding residue
(residue number reindexed from 1)		Y87 L235
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G248 D251 C357 V396
Catalytic site (residue number reindexed from 1) G239 D242 C348 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:3wrh, PDBe:3wrh, PDBj:3wrh
PDBsum3wrh
PubMed
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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