Structure of PDB 5ryx Chain A Binding Site BS01

Receptor Information
>5ryx 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 IDVZS
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
InChIKeyWMVVWYCMGLIOCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC
ACDLabs 12.01N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
CACTVS 3.385COc1ccc(C)cc1NC(=O)Nn2cnnc2
FormulaC11 H13 N5 O2
NameN-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
ChEMBLCHEMBL1490395
DrugBank
ZINCZINC000000611720
PDB chain5ryx 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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PDB5ryx EPB41L3 PanDDA analysis group deposition
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Q133 F136 D149 G152 P167 F386
Binding residue
(residue number reindexed from 1)		Q27 F30 D43 G46 P61 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:5ryx, PDBe:5ryx, PDBj:5ryx
PDBsum5ryx
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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