2026-04-04_00000264
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ligand
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9TM1
Crystal structure of bromodomain from Plasmodium falciparum GCN5 complexed with a ligand;
X-ray diffraction 1.80Å
Protein #1
106 residues (99% resolved)
Raw Sequence ...
GHKEVQLKDQILGVLDYLEKQQSAWPFLKPVSLSEAPDYYDIIKEPTDILTMRRKARHGDYKTKEDFGIELKRMFDNCRLYNAPTTIYFKYANELQTLIWPKYEAI
Canonical Sequence ...
GHKEVQLKDQILGVLDYLEKQQSAWPFLKPVSLSEAPDYYDIIKEPTDILTMRRKARHGDYKTKEDFGIELKRMFDNCRLYNAPTTIYFKYANELQTLIWPKYEAI
Non polymer #2
A1JWP
InChI=1S/C16H17N7O5/c1-17-14(25)8(6-23-4-3-10(24)22-16(23)27)21-15(26)11-9(28-2)5-18-13-12(11)19-7-20-13/h3-5,7-8H,6H2,1-2H3,(H,17,25)(H,21,26)(H,18,19,20)(H,22,24,27)/t8-/m0/s1
InChI=1S/C16H17N7O5/c1-17-14(25)8(6-23-4-3-10(24)22-16(23)27)21-15(26)11-9(28-2)5-18-13-12(11)19-7-20-13/h3-5,7-8H,6H2,1-2H3,(H,17,25)(H,21,26)(H,18,19,20)(H,22,24,27)/t8-/m0/s1
SMILES: CNC(=O)[C@H](CN1C=CC(=O)NC1=O)NC(=O)c2c(cnc3c2nc[nH]3)OC
CNC(=O)[C@H](CN1C=CC(=O)NC1=O)NC(=O)c2c(cnc3c2nc[nH]3)OC
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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