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BioLiP

Structure of PDB 4jx1 Chain G Binding Site BS01

Receptor Information
>4jx1 Chain G (length=106) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVVYVSHDGTRRELDVACGVSLMQAAVSNGIYDIVGDCGGSASCATCHV
YVNEAFTDKVPAANEREIGMLESVTAELKPNSRLCCQIIMTPELDGIVVD
VPDRQW
Ligand information
Ligand ID1N0
InChIInChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2
InChIKeyPBFKSBAPGGMKKJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O
ACDLabs 12.01O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
OpenEye OEToolkits 1.7.6C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O
FormulaC14 H20 N2 O4
Name1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione;
bis(maleimido)hexane, bound form
ChEMBL
DrugBank
ZINCZINC000001589641
PDB chain4jx1 Chain E Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jx1 Structural basis for effector control and redox partner recognition in cytochrome P450.
Resolution2.087 Å
Binding residue
(original residue number in PDB)		C19 G20
Binding residue
(residue number reindexed from 1)		C19 G20
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0140647 P450-containing electron transport chain
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:4jx1, PDBe:4jx1, PDBj:4jx1
PDBsum4jx1
PubMed23744947
UniProtP00259|PUTX_PSEPU Putidaredoxin (Gene Name=camB)

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