Structure of PDB 5qg0 Chain A Binding Site BS01

Receptor Information
>5qg0 Chain A (length=282) 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
LEMRKFRMGLIQTADQLRFSYLAVIEGAKFIM
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 chain5qg0 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qg0 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Resolution1.753 Å
Binding residue
(original residue number in PDB)		M133 I134
Binding residue
(residue number reindexed from 1)		M133 I134
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:5qg0, PDBe:5qg0, PDBj:5qg0
PDBsum5qg0
PubMed29877794
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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