Structure of PDB 4og8 Chain A Binding Site BS01

Receptor Information
>4og8 Chain A (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVN
RVGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKV
SDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLR
DVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWL
YLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLG
HLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPY
MYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDV
IPNLLKEAASLLEAGSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLH
VGWATFLVQSLGRFEGQVRQKVRIVSVPGPVLTFQSEKMKGMKELLVATK
INSSAIKLQLTAQSQVQMK
Ligand information
Ligand IDTBF
InChIInChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
InChIKeyRUPAXCPQAAOIPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=COC(C)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)(C)OC=O
FormulaC5 H10 O2
NameTERT-BUTYL FORMATE;
TERTIARY BUTOXY CARBONYL
ChEMBLCHEMBL1236200
DrugBankDB02768
ZINCZINC000004521135
PDB chain4og8 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4og8 High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		S154 S155
Binding residue
(residue number reindexed from 1)		S133 S134
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4og8, PDBe:4og8, PDBj:4og8
PDBsum4og8
PubMed24472025
UniProtO00255|MEN1_HUMAN Menin (Gene Name=MEN1)

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