Structure of PDB 5ryt Chain A Binding Site BS01

Receptor Information
>5ryt 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 IDNX7
InChIInChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyWKDBMZQECSVNDS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)F)C(=O)N2CCCC2)F
CACTVS 3.385Fc1cccc(F)c1C(=O)N2CCCC2
ACDLabs 12.01c1(cccc(c1C(=O)N2CCCC2)F)F
FormulaC11 H11 F2 N O
Name(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
ChEMBLCHEMBL1450678
DrugBank
ZINCZINC000000035148
PDB chain5ryt 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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PDB5ryt EPB41L3 PanDDA analysis group deposition
Resolution1.72 Å
Binding residue
(original residue number in PDB)		D149 F188 F386
Binding residue
(residue number reindexed from 1)		D43 F82 F280
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:5ryt, PDBe:5ryt, PDBj:5ryt
PDBsum5ryt
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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