Structure of PDB 7gt2 Chain A Binding Site BS01

Receptor Information
>7gt2 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 IDJNG
InChIInChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyYPKLXLYGMAWXDO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CSc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1SCC(=O)O)Cl
CACTVS 3.385OC(=O)CSc1ccc(Cl)cc1
FormulaC8 H7 Cl O2 S
Name[(4-chlorophenyl)sulfanyl]acetic acid
ChEMBLCHEMBL369615
DrugBank
ZINCZINC000000075397
PDB chain7gt2 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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PDB7gt2 PanDDA Analysis group deposition
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E159 E170
Binding residue
(residue number reindexed from 1)		E159 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:7gt2, PDBe:7gt2, PDBj:7gt2
PDBsum7gt2
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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