Structure of PDB 5rz1 Chain A Binding Site BS01

Receptor Information
>5rz1 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 IDWGY
InChIInChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyKEFCIQSZJXXOLO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ccc(cc1)S(=O)(=O)N
CACTVS 3.385CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O
ACDLabs 12.01NS(c1ccc(cc1)NC(=O)CC)(=O)=O
FormulaC9 H12 N2 O3 S
NameN-(4-sulfamoylphenyl)propanamide
ChEMBLCHEMBL278395
DrugBank
ZINCZINC000000381801
PDB chain5rz1 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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PDB5rz1 EPB41L3 PanDDA analysis group deposition
Resolution1.62 Å
Binding residue
(original residue number in PDB)		T154 K162 W164 R217 D299 R375
Binding residue
(residue number reindexed from 1)		T48 K56 W58 R111 D193 R269
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:5rz1, PDBe:5rz1, PDBj:5rz1
PDBsum5rz1
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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