Structure of PDB 7gtr Chain A Binding Site BS01

Receptor Information
>7gtr 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 IDTAH
InChIInChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
InChIKeyWPIKJQNXQSBHPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NNC(=O)c1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2C(=O)NN
FormulaC14 H14 N2 O2
Name2-(benzyloxy)benzohydrazide;
2-phenylmethoxybenzohydrazide;
935766
ChEMBLCHEMBL1587693
DrugBank
ZINCZINC000000529455
PDB chain7gtr 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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PDB7gtr PanDDA Analysis group deposition
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Q78 R79 S80 S205 H208 G209
Binding residue
(residue number reindexed from 1)		Q78 R79 S80 S205 H208 G209
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:7gtr, PDBe:7gtr, PDBj:7gtr
PDBsum7gtr
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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