Structure of PDB 7gsx Chain A Binding Site BS01

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 402 [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)		I145 E170
Binding residue
(residue number reindexed from 1)		I145 E170
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:7gsx, PDBe:7gsx, PDBj:7gsx
PDBsum7gsx
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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