Structure of PDB 5ryy Chain A Binding Site BS01

Receptor Information
>5ryy Chain A (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKSMQCKVILLDGSEYTCDVEKRSRGQVLFDKVCEHLNLLEKDYFGLTYR
DAENQKNWLDPAKEIKKQVRSGAWHFSFNVKFYPPDPAQLSEDITRYYLC
LQLRDDIVSGRLPCSFVTLALLGSYTVQSELGDYDPDECGSDYISEFRFA
PNHTKELEDKVIELHKSHRGMTPAEAEMHFLENAKKLSMYGVDLHHAKDS
EGVEIMLGVCASGLLIYRDRLRINRFAWPKVLKISYKRNNFYIKIRPGEF
EQFESTIGFKLPNHRAAKRLWKVCVEHHTFFRLL
Ligand information
Ligand IDWGV
InChIInChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
InChIKeyPJMAQEATSLLDCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccccc1C#CCN2CCCCC2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C#CCN2CCCCC2
CACTVS 3.385C1CCN(CC1)CC#Cc2ccccc2
FormulaC14 H17 N
Name1-(3-phenylprop-2-yn-1-yl)piperidine
ChEMBLCHEMBL1907130
DrugBank
ZINCZINC000001240297
PDB chain5ryy Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ryy EPB41L3 PanDDA analysis group deposition
Resolution1.69 Å
Binding residue
(original residue number in PDB)		K291 L293 S294 C316 S318 L321 R331 F332 A333
Binding residue
(residue number reindexed from 1)		K185 L187 S188 C210 S212 L215 R225 F226 A227
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008092 cytoskeletal protein binding
Cellular Component
GO:0005856 cytoskeleton

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Molecular Function
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Cellular Component
External links
PDB RCSB:5ryy, PDBe:5ryy, PDBj:5ryy
PDBsum5ryy
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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