2026-08-22_00000068
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ligand
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13TU
Orf9b homodimer in complex with fragment ZINC000037716618;
X-ray diffraction 1.83Å
Protein #1
97 residues (87% resolved)
Raw Sequence ...
MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTKLATTEELPDEFVVVTVK
Canonical Sequence ...
MDPKISEMHPALRLVDPQIQLAVTRMENAVGRDQNNVGPKVYPIILRLGSPLSLNMARKTLNSLEDKAFQLTPIAVQMTKLATTEELPDEFVVVTVK
Non polymer #2
A1C1I
InChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17)
InChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17)
SMILES: c1ccc(c(c1)CNS(=O)(=O)c2cc([nH]c2)C(=O)O)F
c1ccc(c(c1)CNS(=O)(=O)c2cc([nH]c2)C(=O)O)F
Non polymer #3
D10
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES: CCCCCCCCCC
CCCCCCCCCC
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
homo-dimer
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Model
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