Structure of PDB 7gsk Chain A Binding Site BS01

Receptor Information
>7gsk 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 IDUXG
InChIInChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
InChIKeyMMAJXKGUZYDTHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(ccccc1)C(c2ccccc2)N3CC(C3)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(c2ccccc2)N3CC(C3)O
CACTVS 3.385OC1CN(C1)C(c2ccccc2)c3ccccc3
FormulaC16 H17 N O
Name1-(diphenylmethyl)azetidin-3-ol
ChEMBLCHEMBL3763552
DrugBank
ZINCZINC000000133425
PDB chain7gsk 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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PDB7gsk PanDDA Analysis group deposition
Resolution1.84 Å
Binding residue
(original residue number in PDB)		M235 D236 I281 M282
Binding residue
(residue number reindexed from 1)		M235 D236 I281 M282
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:7gsk, PDBe:7gsk, PDBj:7gsk
PDBsum7gsk
PubMed38260327
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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