Structure of PDB 4jws Chain A Binding Site BS02

Receptor Information
>4jws Chain A (length=392) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRSN
GGHWIATRGQLIREAYEDYRHFSSESPFIPRSMDPPEQRQFRALANQVVG
MPVVDKLENRIQELASSLIESLRPQGQCNFTEDYAEPFPIRIFMLLAGLP
EEDIPHLKYLTDQMTRGSMTFAEAKEALYDYLIPIIEQRRQKPGTDAISI
VANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSMEFLAKSPEHRQ
ELIERPERIPAASEELLRRFSLVADGRILTSDYEFHGVQLKKGDQILLPQ
MLSGLDERENAAPMHVDFSRQCVSHTTFGHGSHLCLGQHLARREIIVTLK
EWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPATTKAV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4jws 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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PDB4jws Structural basis for effector control and redox partner recognition in cytochrome P450.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		E198 D202
Binding residue
(residue number reindexed from 1)		E176 D180
Annotation score1
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) R166 G226 D229 T230 V231 C335 L336 G337 E344 V374
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:4jws, PDBe:4jws, PDBj:4jws
PDBsum4jws
PubMed23744947
UniProtP00183|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)

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