Structure of PDB 5rzg Chain A Binding Site BS01

Receptor Information
>5rzg 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 IDWHP
InChIInChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
InChIKeyHMJIOKFBRSKMHO-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](N[S](C)(=O)=O)c1ccccc1Cl
OpenEye OEToolkits 2.0.7C[C@H](c1ccccc1Cl)NS(=O)(=O)C
ACDLabs 12.01c1cccc(Cl)c1C(NS(=O)(C)=O)C
OpenEye OEToolkits 2.0.7CC(c1ccccc1Cl)NS(=O)(=O)C
CACTVS 3.385C[CH](N[S](C)(=O)=O)c1ccccc1Cl
FormulaC9 H12 Cl N O2 S
NameN-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000048903099
PDB chain5rzg Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5rzg EPB41L3 PanDDA analysis group deposition
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W334 V337 L338 K339 I340 H384
Binding residue
(residue number reindexed from 1)		W228 V231 L232 K233 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:5rzg, PDBe:5rzg, PDBj:5rzg
PDBsum5rzg
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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