Structure of PDB 7gst Chain A Binding Site BS01

Receptor Information
>7gst 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 IDA1ABC
InChIInChI=1S/C10H13NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyZOPZYWPRKRGGTC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CS(=O)(=O)N1CCCc2ccccc21
CACTVS 3.385C[S](=O)(=O)N1CCCc2ccccc12
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCCc2c1cccc2
FormulaC10 H13 N O2 S
Name1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline
ChEMBL
DrugBank
ZINC
PDB chain7gst Chain A Residue 402 [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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PDB7gst PanDDA Analysis group deposition
Resolution1.64 Å
Binding residue
(original residue number in PDB)		G14 W16 A264 D265 R268
Binding residue
(residue number reindexed from 1)		G14 W16 A264 D265 R268
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:7gst, PDBe:7gst, PDBj:7gst
PDBsum7gst
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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