2025-05-10_00000218
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ligand
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9F6W
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 1-TND14;
X-ray diffraction 2.20Å
Protein #1
105 residues (99% resolved)
Raw Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFY
Canonical Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFY
Non polymer #2
A1IAC
InChI=1S/C14H21N3O2/c1-4-11-12(10(3)18)9(2)16-13(11)14(19)17-7-5-15-6-8-17/h15-16H,4-8H2,1-3H3
InChI=1S/C14H21N3O2/c1-4-11-12(10(3)18)9(2)16-13(11)14(19)17-7-5-15-6-8-17/h15-16H,4-8H2,1-3H3
SMILES: CCc1c(c([nH]c1C(=O)N2CCNCC2)C)C(=O)C
CCc1c(c([nH]c1C(=O)N2CCNCC2)C)C(=O)C
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
monomer
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Model
Reference
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