Structure of PDB 5rz0 Chain A Binding Site BS01

Receptor Information
>5rz0 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 IDK0A
InChIInChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKeyBRAPKXFMPGACJU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1sc(C)c(n1)C(=O)N2CCCC2
OpenEye OEToolkits 2.0.6Cc1c(nc(s1)C)C(=O)N2CCCC2
ACDLabs 12.01N1(CCCC1)C(=O)c2c(sc(n2)C)C
FormulaC10 H14 N2 O S
Name(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
ChEMBL
DrugBank
ZINCZINC000082264779
PDB chain5rz0 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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PDB5rz0 EPB41L3 PanDDA analysis group deposition
Resolution1.74 Å
Binding residue
(original residue number in PDB)		G216 R217 L300 M312 R326
Binding residue
(residue number reindexed from 1)		G110 R111 L194 M206 R220
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:5rz0, PDBe:5rz0, PDBj:5rz0
PDBsum5rz0
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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