Structure of PDB 6nbl Chain B Binding Site BS02

Receptor Information
>6nbl Chain B (length=403) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRSN
GGHWIATRGQLIREAYEDYRHFSSESPFIPREAGEAYDFISMDPPEQRQF
RALANQVVGMPVVDKLENRIQELASSLIESLRPQGQCNFTEDYAEPFPIR
IFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIEQR
RQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSM
EFLAKSPEHRQELIERPERIPAASEELLRRFSLVADGRILTSDYEFHGVQ
LKKGDQILLPQMLSGLDERENAAPMHVDFSRQCVSHTTFGHGSHLCLGQH
LARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPATT
KAV
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 chain6nbl Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nbl Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
Resolution2.15 Å
Binding residue
(original residue number in PDB)		E94 G248
Binding residue
(residue number reindexed from 1)		E85 G237
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) R175 G237 D240 T241 V242 C346 L347 G348 E355 V385
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:6nbl, PDBe:6nbl, PDBj:6nbl
PDBsum6nbl
PubMed30672701
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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