Structure of PDB 5u9i Chain A Binding Site BS01

Receptor Information
>5u9i Chain A (length=150) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGVKKTILHGGTGELPNFITGSRVIFHFRTMKCDEERTVIDDSRQVGQPM
HIIIGNMFKLEVWEILLTSMRVHEVAEFWCDTIHTGVYPILSRSLRQMAQ
GKDPTEWHVHTCGLANMFAYHTLGYEDLDELQKEPQPLVFVIELLQVDAP
Ligand information
Ligand IDFAR
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+
InChIKeyJXBSHSBNOVLGHF-BUJBXKITSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341C\C=C(C)\CC\C=C(C)\CCC=C(C)C
ACDLabs 10.04C(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C
FormulaC15 H26
NameFARNESYL
ChEMBL
DrugBank
ZINC
PDB chain5u9i Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5u9i Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F37 M59 W72 L100
Binding residue
(residue number reindexed from 1)		F28 M50 W63 L91
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.31,Kd=49nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:5u9i, PDBe:5u9i, PDBj:5u9i
PDBsum5u9i
PubMed28739921
UniProtQ9NZN9|AIPL1_HUMAN Aryl-hydrocarbon-interacting protein-like 1 (Gene Name=AIPL1)

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