Structure of PDB 7gta Chain A Binding Site BS01

Receptor Information
>7gta 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 IDA1ABQ
InChIInChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyQAZPKSKUOOWBMI-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@H]1CN=C(Nc2ccc(F)cc2)S1
OpenEye OEToolkits 2.0.7C[C@H]1CN=C(S1)Nc2ccc(cc2)F
OpenEye OEToolkits 2.0.7CC1CN=C(S1)Nc2ccc(cc2)F
CACTVS 3.385C[CH]1CN=C(Nc2ccc(F)cc2)S1
ACDLabs 12.01CC1CN=C(Nc2ccc(F)cc2)S1
FormulaC10 H11 F N2 S
Name(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7gta 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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PDB7gta PanDDA Analysis group deposition
Resolution2.06 Å
Binding residue
(original residue number in PDB)		P89 V92 M133 I134
Binding residue
(residue number reindexed from 1)		P89 V92 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
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Biological Process
External links
PDB RCSB:7gta, PDBe:7gta, PDBj:7gta
PDBsum7gta
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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