Structure of PDB 7gsz Chain A Binding Site BS01

Receptor Information
>7gsz Chain A (length=280) 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
LEMRKFRMGLIQTADQLRFSYLAVIEGAKF
Ligand information
Ligand IDWFI
InChIInChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3
InChIKeyHSWRYUZXDMQDGC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01NCc1sc(nc1C)c1ccncc1
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)c2ccncc2)CN
CACTVS 3.385Cc1nc(sc1CN)c2ccncc2
FormulaC10 H11 N3 S
Name1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine
ChEMBL
DrugBank
ZINCZINC000012370598
PDB chain7gsz 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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PDB7gsz PanDDA Analysis group deposition
Resolution1.91 Å
Binding residue
(original residue number in PDB)		F196 D236
Binding residue
(residue number reindexed from 1)		F196 D236
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:7gsz, PDBe:7gsz, PDBj:7gsz
PDBsum7gsz
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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