Structure of PDB 3ff5 Chain A Binding Site BS01

Receptor Information
>3ff5 Chain A (length=54) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSPEFREPLIATAVKFLQNSRVRQSPLATRRAFLKKKGLTDEEIDLA
FQQS
Ligand information
Ligand IDDPW
InChIInChI=1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3
InChIKeyVVVDGSCGBGBGFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C
ACDLabs 10.04[O-]P(=O)(OCCCCCCCCCC)OCC[N+](C)(C)C
FormulaC15 H34 N O4 P
Namedecyl 2-trimethylazaniumylethyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain3ff5 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ff5 Crystal structure of the conserved N-terminal domain of the peroxisomal matrix protein import receptor, Pex14p
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F35 F52 K55
Binding residue
(residue number reindexed from 1)		F19 F36 K39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016560 protein import into peroxisome matrix, docking
Cellular Component
GO:0005778 peroxisomal membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:3ff5, PDBe:3ff5, PDBj:3ff5
PDBsum3ff5
PubMed19122147
UniProtQ642G4|PEX14_RAT Peroxisomal membrane protein PEX14 (Gene Name=Pex14)

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