Structure of PDB 5ryu Chain A Binding Site BS01

Receptor Information
>5ryu 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 IDUWV
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
InChIKeyIREDHAFKGFKXRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n2nc(CNc1ccccc1F)cc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)NCc2cc[nH]n2)F
CACTVS 3.385Fc1ccccc1NCc2cc[nH]n2
FormulaC10 H10 F N3
Name2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
ChEMBL
DrugBank
ZINCZINC000020350772
PDB chain5ryu 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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PDB5ryu EPB41L3 PanDDA analysis group deposition
Resolution1.63 Å
Binding residue
(original residue number in PDB)		C316 S318 G319 L320 L321 R331 F332
Binding residue
(residue number reindexed from 1)		C210 S212 G213 L214 L215 R225 F226
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:5ryu, PDBe:5ryu, PDBj:5ryu
PDBsum5ryu
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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