Structure of PDB 5ryr Chain A Binding Site BS01

Receptor Information
>5ryr 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 IDWGP
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyMLCBUWNEWJFXJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(CC(N(C)C)=O)c1ccccc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(C)C(=O)CNc1ccccc1
FormulaC10 H14 N2 O
NameN,N-dimethyl-N~2~-phenylglycinamide
ChEMBL
DrugBank
ZINCZINC000003634729
PDB chain5ryr 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5ryr EPB41L3 PanDDA analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S294 L321 R331 F332 A333
Binding residue
(residue number reindexed from 1)		S188 L215 R225 F226 A227
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008092 cytoskeletal protein binding
Cellular Component
GO:0005856 cytoskeleton

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5ryr, PDBe:5ryr, PDBj:5ryr
PDBsum5ryr
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

[Back to BioLiP]