Structure of PDB 5rz9 Chain A Binding Site BS01

Receptor Information
>5rz9 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 IDGT4
InChIInChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyNSZUGQROUUTGGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COCC(=O)Nc1ccc(cc1)O
CACTVS 3.385COCC(=O)Nc1ccc(O)cc1
FormulaC9 H11 N O3
Name~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
ChEMBL
DrugBank
ZINCZINC000000363785
PDB chain5rz9 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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PDB5rz9 EPB41L3 PanDDA analysis group deposition
Resolution1.79 Å
Binding residue
(original residue number in PDB)		W334 V337 L338 I340 H384
Binding residue
(residue number reindexed from 1)		W228 V231 L232 I234 H278
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:5rz9, PDBe:5rz9, PDBj:5rz9
PDBsum5rz9
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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