Structure of PDB 7gs8 Chain A Binding Site BS01

Receptor Information
>7gs8 Chain A (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVS
PFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVW
EQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIK
SYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRE
SGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVL
LEMRKFRMGLIQTADQLRFSYLAVIEGAK
Ligand information
Ligand IDGV1
InChIInChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3
InChIKeyYFDMPSHJDVETSL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)c1ncnc2sc(C)c(C)c12
OpenEye OEToolkits 2.0.6Cc1c(sc2c1c(ncn2)N(C)C)C
FormulaC10 H13 N3 S
Name~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
ChEMBL
DrugBank
ZINCZINC000000784866
PDB chain7gs8 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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PDB7gs8 PanDDA Analysis group deposition
Resolution1.67 Å
Binding residue
(original residue number in PDB)		H60 Q61
Binding residue
(residue number reindexed from 1)		H60 Q61
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:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7gs8, PDBe:7gs8, PDBj:7gs8
PDBsum7gs8
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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