Structure of PDB 7f8g Chain A Binding Site BS01

Receptor Information
>7f8g Chain A (length=257) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIERVFVWDLDETIIIFHSLLTGTFASRYGKDTTTSVRIGLMMEEMIFNL
ADTHLFFNLEDCDQIHVDDVSSDDNGQDLSTYNFSADGFHSGVDWMRKLA
FRYRRVKEMYNTYKNNVGGLIGTPKRETWLQLRAELEALTDLWLTHSLKA
LNLINSRPNCVNVLVTTTQLIPALAKVLLYGLGSVFPIENIYSATKTGKE
SCFERIMQRFGRKAVYVVIGDGVEEEQGAKKHNMPFWRISCHADLEALRH
ALELEYL
Ligand information
Ligand ID1RI
InChIInChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+
InChIKeyADVBODULINBOOF-MFKUBSTISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cccc(c2)C(=O)NN=Cc3ccc(o3)Sc4ncccn4
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4
CACTVS 3.385O=C(N/N=C/c1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3
CACTVS 3.385O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3
FormulaC22 H16 N4 O3 S
Name3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
ChEMBL
DrugBank
ZINC
PDB chain7f8g Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7f8g Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Resolution3.491 Å
Binding residue
(original residue number in PDB)		T278 F282 Y294 M308 W410 R414 T421 W424
Binding residue
(residue number reindexed from 1)		T13 F17 Y29 M43 W129 R133 T140 W143
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0007275 multicellular organism development

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7f8g, PDBe:7f8g, PDBj:7f8g
PDBsum7f8g
PubMed34761455
UniProtO00167|EYA2_HUMAN Eyes absent homolog 2 (Gene Name=EYA2)

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