Structure of PDB 5rzo Chain A Binding Site BS01

Receptor Information
>5rzo 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 IDWJ4
InChIInChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKeyPTFMLOCDFPJQDW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1COCCN1Cc2c(snn2)Cl
ACDLabs 12.01n1c(c(Cl)sn1)CN2CCOCC2
CACTVS 3.385Clc1snnc1CN2CCOCC2
FormulaC7 H10 Cl N3 O S
Name4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
ChEMBL
DrugBank
ZINCZINC000020223865
PDB chain5rzo 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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PDB5rzo EPB41L3 PanDDA analysis group deposition
Resolution1.97 Å
Binding residue
(original residue number in PDB)		N185 Y189 D212 R217 G297 V298 D299
Binding residue
(residue number reindexed from 1)		N79 Y83 D106 R111 G191 V192 D193
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:5rzo, PDBe:5rzo, PDBj:5rzo
PDBsum5rzo
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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