Structure of PDB 5rz8 Chain A Binding Site BS01

Receptor Information
>5rz8 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 IDWHG
InChIInChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKeyVJMTXOUUYNPWLF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2CCN(Cc1ccon1)CC2
CACTVS 3.385C1CN(CCN1)Cc2ccon2
OpenEye OEToolkits 2.0.7c1conc1CN2CCNCC2
FormulaC8 H13 N3 O
Name1-[(1,2-oxazol-3-yl)methyl]piperazine
ChEMBL
DrugBank
ZINCZINC000019362177
PDB chain5rz8 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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PDB5rz8 EPB41L3 PanDDA analysis group deposition
Resolution1.66 Å
Binding residue
(original residue number in PDB)		T154 Y155 R156 K162 H181 F182 S183
Binding residue
(residue number reindexed from 1)		T48 Y49 R50 K56 H75 F76 S77
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:5rz8, PDBe:5rz8, PDBj:5rz8
PDBsum5rz8
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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