Structure of PDB 7gsc Chain A Binding Site BS01

Receptor Information
>7gsc 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 IDWLJ
InChIInChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2
InChIKeyRRINWFXOXXUQGK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1cccc(F)c1C(=O)N2CCCCCC2
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F
ACDLabs 12.01C1CN(CCCC1)C(c2c(cccc2F)F)=O
FormulaC13 H15 F2 N O
Name(azepan-1-yl)(2,6-difluorophenyl)methanone
ChEMBL
DrugBank
ZINCZINC000000035195
PDB chain7gsc 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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PDB7gsc PanDDA Analysis group deposition
Resolution1.69 Å
Binding residue
(original residue number in PDB)		A189 L192 N193 F196 E276 F280
Binding residue
(residue number reindexed from 1)		A189 L192 N193 F196 E276 F280
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
View graph for
Biological Process
External links
PDB RCSB:7gsc, PDBe:7gsc, PDBj:7gsc
PDBsum7gsc
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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