Structure of PDB 7gsx Chain A Binding Site BS02

Receptor Information
>7gsx 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 IDJLM
InChIInChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChIKeyYMZTUCZCQMQFMK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c12c(C)c(C(O)=O)oc1cccc2
CACTVS 3.385Cc1c(oc2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.6Cc1c2ccccc2oc1C(=O)O
FormulaC10 H8 O3
Name3-methyl-1-benzofuran-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000107768
PDB chain7gsx Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gsx PanDDA Analysis group deposition
Resolution1.67 Å
Binding residue
(original residue number in PDB)		M1 E2 M235 P241 S242 M282
Binding residue
(residue number reindexed from 1)		M1 E2 M235 P241 S242 M282
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
View graph for
Biological Process
External links
PDB RCSB:7gsx, PDBe:7gsx, PDBj:7gsx
PDBsum7gsx
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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