Structure of PDB 5ryw Chain A Binding Site BS01

Receptor Information
>5ryw 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 IDELQ
InChIInChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyZCPNSVBDWJVJSY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
OpenEye OEToolkits 2.0.6CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F
FormulaC12 H14 F2 N2 O
Name[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
ChEMBLCHEMBL1451914
DrugBank
ZINCZINC000019589796
PDB chain5ryw 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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PDB5ryw EPB41L3 PanDDA analysis group deposition
Resolution1.66 Å
Binding residue
(original residue number in PDB)		Y150 F386 F387 L389 L390
Binding residue
(residue number reindexed from 1)		Y44 F280 F281 L283 L284
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:5ryw, PDBe:5ryw, PDBj:5ryw
PDBsum5ryw
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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