Structure of PDB 3p6q Chain A Binding Site BS01
Receptor Information
>3p6q Chain A (length=401) Species:
303
(Pseudomonas putida) [
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NLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCN
GGHWIATRGQLIREAYEDYRHFSSECPFIPREYDFIPTSMDPPEQRQFRA
LANQVVGMPVVDKLENRIQELACSLIESLRPQGQCNFTEDYAEPFPIRIF
MLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIEQRRQ
KPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSMEF
LAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHGVQLK
KGDQILLPQMLSGLDERENAAPMHVDFSRQKVSHTTFGHGSHLCLGQHLA
RREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPATTKA
V
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
3p6q Chain A Residue 420 [
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Receptor-Ligand Complex Structure
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PDB
3p6q
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-Etg-Boc
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
P100 R112 L244 L245 G248 G249 T252 V253 D297 R299 Q322 T349 F350 G351 H355 C357 G359 A363
Binding residue
(residue number reindexed from 1)
P87 R99 L231 L232 G235 G236 T239 V240 D284 R286 Q309 T336 F337 G338 H342 C344 G346 A350
Annotation score
1
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)
R173 G235 D238 T239 V240 C344 L345 G346 E353 V383
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
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Cellular Component
External links
PDB
RCSB:3p6q
,
PDBe:3p6q
,
PDBj:3p6q
PDBsum
3p6q
PubMed
UniProt
P00183
|CPXA_PSEPU Camphor 5-monooxygenase (Gene Name=camC)
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