2025-02-15_00000083
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ligand
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9B2E
DHNA associated with an inhibitor;
X-ray diffraction 1.95Å
Protein #1
121 residues (98% resolved)
Raw Sequence ...
MADRIELRGLTVHGRHGVYDHERVAGQRFVIDVTVWIDLAEAANSDDLADTYDYVRLASRAAEIVAGPPRKLIETVGAEIADHVMDDQRVHAVEVAVHKPQAPIPQTFDDVAVVIRRSRRG
Canonical Sequence ...
MADRIELRGLTVHGRHGVYDHERVAGQRFVIDVTVWIDLAEAANSDDLADTYDYVRLASRAAEIVAGPPRKLIETVGAEIADHVMDDQRVHAVEVAVHKPQAPIPQTFDDVAVVIRRSRRG
Non polymer #2
B55
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
SMILES: c12c([nH]c(n1)S)N=C(NC2=O)N
c12c([nH]c(n1)S)N=C(NC2=O)N
Biounit #1
homo-octamer
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Model
Reference
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