Structure of PDB 7gt7 Chain A Binding Site BS01

Receptor Information
>7gt7 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 IDA1ABL
InChIInChI=1S/C12H16O3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11,13H,5-9H2
InChIKeyRMRHXMQGVDIPCL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCc1ccccc1OC1CCOCC1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CO)OC2CCOCC2
CACTVS 3.385OCc1ccccc1OC2CCOCC2
FormulaC12 H16 O3
Name{2-[(oxan-4-yl)oxy]phenyl}methanol
ChEMBL
DrugBank
ZINC
PDB chain7gt7 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7gt7 PanDDA Analysis group deposition
Resolution1.84 Å
Binding residue
(original residue number in PDB)		P89 Q123 I134 F135
Binding residue
(residue number reindexed from 1)		P89 Q123 I134 F135
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:7gt7, PDBe:7gt7, PDBj:7gt7
PDBsum7gt7
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

[Back to BioLiP]