Structure of PDB 7gtj Chain A Binding Site BS01

Receptor Information
>7gtj 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 IDJP4
InChIInChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
InChIKeyMYGVYNRBQSAMIF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1COCCN1c2ccccc2CO
OpenEye OEToolkits 2.0.6c1ccc(c(c1)CO)N2CCOCC2
CACTVS 3.385OCc1ccccc1N2CCOCC2
FormulaC11 H15 N O2
Name[2-(morpholin-4-yl)phenyl]methanol
ChEMBL
DrugBank
ZINCZINC000000159007
PDB chain7gtj 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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PDB7gtj PanDDA Analysis group deposition
Resolution1.83 Å
Binding residue
(original residue number in PDB)		I145 L158 E159 T168 R169 E170
Binding residue
(residue number reindexed from 1)		I145 L158 E159 T168 R169 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7gtj, PDBe:7gtj, PDBj:7gtj
PDBsum7gtj
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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