Structure of PDB 5u9j Chain A Binding Site BS01

Receptor Information
>5u9j Chain A (length=152) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVEGVKKTILHGGTGELPNFITGSRVIFHFRTMKCDEERTVIDDSRQVGQ
PMHIIIGNMFKLEVWEILLTSMRVHEVAEFWCDTIHTGVYPILSRSLRQM
AQGKDPTEWHVHTCGLANMFAYHTLGYEDLDELQKEPQPLVFVIELLQVD
AP
Ligand information
Ligand IDGER
InChIInChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+
InChIKeyHSOYJGBJQAKCNA-CAIKYXSQSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C)C
OpenEye OEToolkits 1.5.0C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
FormulaC20 H34
NameGERAN-8-YL GERAN
ChEMBL
DrugBank
ZINCZINC000014880577
PDB chain5u9j Chain A Residue 301 [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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PDB5u9j Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F35 M59 W72 L104 F149
Binding residue
(residue number reindexed from 1)		F28 M52 W65 L97 F142
Annotation score1
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:5u9j, PDBe:5u9j, PDBj:5u9j
PDBsum5u9j
PubMed28739921
UniProtQ9NZN9|AIPL1_HUMAN Aryl-hydrocarbon-interacting protein-like 1 (Gene Name=AIPL1)

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