Structure of PDB 7gtp Chain A Binding Site BS01

Receptor Information
>7gtp Chain A (length=297) 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
LEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHE
Ligand information
Ligand IDW1D
InChIInChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyKMXZEXUYXUMHEQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(ccc1OCC(O)=O)C(C)=O
CACTVS 3.385CC(=O)c1ccc(OCC(O)=O)cc1
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(cc1)OCC(=O)O
FormulaC10 H10 O4
Name(4-acetylphenoxy)acetic acid
ChEMBLCHEMBL84623
DrugBank
ZINCZINC000000115002
PDB chain7gtp 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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PDB7gtp PanDDA Analysis group deposition
Resolution2.47 Å
Binding residue
(original residue number in PDB)		E75 E76 K248 E252
Binding residue
(residue number reindexed from 1)		E75 E76 K248 E252
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:7gtp, PDBe:7gtp, PDBj:7gtp
PDBsum7gtp
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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