Structure of PDB 5v35 Chain A Binding Site BS01
Receptor Information
>5v35 Chain A (length=152) Species:
9606
(Homo sapiens) [
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NVEGVKKTILHGGTGELPNFITGSRVIFHFRTMKCDEERTVIDDSRQVGQ
PMHIIIGNMFKLEFWEILLTSMRVHEVAEFWCDTIHTGVYPILSRSLRQM
AQGKDPTEWHVHTCGLANMFAYHTLGYEDLDELQKEPQPLVFVIELLQVD
AP
Ligand information
Ligand ID
FAR
InChI
InChI=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+
InChIKey
JXBSHSBNOVLGHF-BUJBXKITSA-N
SMILES
Software
SMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0
CC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0
C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341
C\C=C(C)\CC\C=C(C)\CCC=C(C)C
ACDLabs 10.04
C(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C
Formula
C15 H26
Name
FARNESYL
ChEMBL
DrugBank
ZINC
PDB chain
5v35 Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
5v35
Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
F37 M59 I61 L100 F149
Binding residue
(residue number reindexed from 1)
F30 M52 I54 L93 F142
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=6.96,Kd=110nM
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:5v35
,
PDBe:5v35
,
PDBj:5v35
PDBsum
5v35
PubMed
28739921
UniProt
Q9NZN9
|AIPL1_HUMAN Aryl-hydrocarbon-interacting protein-like 1 (Gene Name=AIPL1)
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