Structure of PDB 7frp Chain A Binding Site BS01

Receptor Information
>7frp 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 IDJL4
InChIInChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyAEDWMWQOFJYAGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1nc(cs1)c2ccc(s2)C(=O)O
CACTVS 3.385Cc1scc(n1)c2sc(cc2)C(O)=O
ACDLabs 12.01c2(ccc(c1nc(C)sc1)s2)C(=O)O
FormulaC9 H7 N O2 S2
Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000158867
PDB chain7frp Chain A Residue 702 [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]
PDB7frp Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		M1 E2 S242
Binding residue
(residue number reindexed from 1)		M1 E2 S242
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:7frp, PDBe:7frp, PDBj:7frp
PDBsum7frp
PubMed36881464
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

[Back to BioLiP]