Structure of PDB 8tnq Chain C Binding Site BS01

Receptor Information
Ligand information
Ligand IDMIQ
InChIInChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1
InChIKeyCCCSRHUSXCBFJZ-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)C4CCC(=O)NC4=O
ACDLabs 12.01O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1
OpenEye OEToolkits 2.0.7c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)[C@H]4CCC(=O)NC4=O
CACTVS 3.385O=C1CC[CH](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1
CACTVS 3.385O=C1CC[C@H](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1
FormulaC17 H17 N3 O5
Name2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione
ChEMBL
DrugBank
ZINC
PDB chain8tnq Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tnq Continuous evolution of compact protein degradation tags regulated by selective molecular glues
Resolution2.41 Å
Binding residue
(original residue number in PDB)		F18 C19 I21 C22 G23
Binding residue
(residue number reindexed from 1)		F3 C4 I6 C7 G8
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015144 carbohydrate transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0006974 DNA damage response
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0034219 carbohydrate transmembrane transport
GO:0034289 detection of maltose stimulus
GO:0042956 maltodextrin transmembrane transport
GO:0055085 transmembrane transport
GO:0060326 cell chemotaxis
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
GO:1990060 maltose transport complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tnq, PDBe:8tnq, PDBj:8tnq
PDBsum8tnq
PubMed38484051
UniProtP0AEX9|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE);
Q13422|IKZF1_HUMAN DNA-binding protein Ikaros (Gene Name=IKZF1)

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