Structure of PDB 4kky Chain X Binding Site BS02

Receptor Information
>4kky Chain X (length=411) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETIQSNANLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPD
LVWTRSNGGHWIATRGQLIREAYEDYRHFSSESPFIPREAGEAYDFIPTS
MDPPEQRQFRCLANQVVGMPVVDKLENRIQELASSLIESLRPQGQCNFTE
DYAEPFPIRIFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYD
YLIPIIEQRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDT
VVNFLSFSMEFLAKSPEHRQELIERPERIPAASEELLRRFSLVADGRILT
SDYEFHGVQLKKGDQILLPQMLSGLDERENAAPMHVDFSRQKVSHTTFGH
GSHLCLGQHLARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQAL
PLVWDPATTKA
Ligand information
Ligand ID1T4
InChIInChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKeyGJNGMQYHOZFQNX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4
CACTVS 3.370CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
FormulaC18 H13 N O
NameN-(pyren-1-yl)acetamide
ChEMBLCHEMBL1346213
DrugBank
ZINCZINC000000334165
PDB chain4kky Chain X Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kky To be determined.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C113 N116
Binding residue
(residue number reindexed from 1)		C111 N114
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G248 D251 C357 V396
Catalytic site (residue number reindexed from 1) G246 D249 C355 V394
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:4kky, PDBe:4kky, PDBj:4kky
PDBsum4kky
PubMed
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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