Structure of PDB 7gsn Chain A Binding Site BS01

Receptor Information
>7gsn 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]
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPSRVAKLPKNKNRNRYRDVS
PFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTVGHFWEMVW
EQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIK
SYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRE
SGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVL
LEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGD
Ligand information
Ligand IDR7T
InChIInChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14)
InChIKeyOAIBKSRZDOMJKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(=O)c1ccc(cc1)Cc2cccs2
OpenEye OEToolkits 2.0.7c1cc(sc1)Cc2ccc(cc2)C(=O)O
CACTVS 3.385OC(=O)c1ccc(Cc2sccc2)cc1
FormulaC12 H10 O2 S
Name4-[(thiophen-2-yl)methyl]benzoic acid
ChEMBL
DrugBank
ZINCZINC000034936268
PDB chain7gsn Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gsn PanDDA Analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		M1 M235 P241 S242
Binding residue
(residue number reindexed from 1)		M1 M235 P241 S242
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:7gsn, PDBe:7gsn, PDBj:7gsn
PDBsum7gsn
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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