Structure of PDB 7gsa Chain A Binding Site BS01

Receptor Information
>7gsa 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 IDA1AA6
InChIInChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyLBVUCHGNHUEOFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1cc(NC(=O)OCC)ccc1
OpenEye OEToolkits 2.0.7CCOC(=O)Nc1cccc(c1)Cl
CACTVS 3.385CCOC(=O)Nc1cccc(Cl)c1
FormulaC9 H10 Cl N O2
Nameethyl (3-chlorophenyl)carbamate
ChEMBL
DrugBank
ZINC
PDB chain7gsa 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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PDB7gsa PanDDA Analysis group deposition
Resolution1.72 Å
Binding residue
(original residue number in PDB)		F196 L232 M235 G277 A278 F280 I281
Binding residue
(residue number reindexed from 1)		F196 L232 M235 G277 A278 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7gsa, PDBe:7gsa, PDBj:7gsa
PDBsum7gsa
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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