Structure of PDB 5s00 Chain A Binding Site BS01

Receptor Information
>5s00 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 IDWJM
InChIInChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
InChIKeyZHALJTYSCWNFOY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N
CACTVS 3.385NC(=O)CN1CCN(CC1)C(=O)c2occc2
FormulaC11 H15 N3 O3
Name2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
ChEMBL
DrugBank
ZINCZINC000035889362
PDB chain5s00 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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PDB5s00 EPB41L3 PanDDA analysis group deposition
Resolution1.77 Å
Binding residue
(original residue number in PDB)		L321 R331
Binding residue
(residue number reindexed from 1)		L215 R225
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:5s00, PDBe:5s00, PDBj:5s00
PDBsum5s00
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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