Structure of PDB 6wfl Chain A Binding Site BS02

Receptor Information
>6wfl Chain A (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
QRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLETVVNFLSF
SMEFLAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHG
VQLKKGDQILLPQMLSGLDERENACPMHVDFSRQKVSHTTFGHGSHLCLG
QHLARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPA
TTKAV
Ligand information
Ligand IDCAH
InChIInChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1
InChIKeyDJQYBVLXBVJHMU-PJKMHFRUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O
OpenEye OEToolkits 1.5.0CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C
CACTVS 3.341CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O
OpenEye OEToolkits 1.5.0CC1(C2CC(=O)C1(CC2O)C)C
ACDLabs 10.04O=C1CC2C(C)(C1(CC2O)C)C
FormulaC10 H16 O2
Name5-EXO-HYDROXYCAMPHOR
ChEMBL
DrugBankDB02817
ZINC
PDB chain6wfl Chain A Residue 503 [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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PDB6wfl Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F87 Y96 V247
Binding residue
(residue number reindexed from 1)		F78 Y87 V238
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R186 E251 T252 C357 L358 G359
Catalytic site (residue number reindexed from 1) R177 E242 T243 C348 L349 G350
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6wfl, PDBe:6wfl, PDBj:6wfl
PDBsum6wfl
PubMed32574066
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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