Structure of PDB 7gs7 Chain A Binding Site BS01

Receptor Information
>7gs7 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 IDRU4
InChIInChI=1S/C11H11N3O2S/c1-2-12-11(15)16-9-5-3-8(4-6-9)10-7-17-14-13-10/h3-7H,2H2,1H3,(H,12,15)
InChIKeyVSHNRASUUBQGMG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCNC(=O)Oc1ccc(cc1)c2csnn2
ACDLabs 12.01N(C(Oc1ccc(cc1)c2nnsc2)=O)CC
FormulaC11 H11 N3 O2 S
Name4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
ChEMBLCHEMBL1308561
DrugBank
ZINCZINC000001387541
PDB chain7gs7 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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PDB7gs7 PanDDA Analysis group deposition
Resolution1.66 Å
Binding residue
(original residue number in PDB)		F196 L232 G277 F280 I281
Binding residue
(residue number reindexed from 1)		F196 L232 G277 F280 I281
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:7gs7, PDBe:7gs7, PDBj:7gs7
PDBsum7gs7
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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