2025-12-20_00000249
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ligand
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9QQV
Structure of the F13 protein of Vaccinia virus in complex with G243-1720;
X-ray diffraction 3.40Å
Protein #1
399 residues (89% resolved)
Raw Sequence ...
HHHHHHHHGSGAGWSHPQFEKGGSGLVPRGSGSVPAGAKCRLVETLPENMDFRSDHLTTFECFNEIITLAKKYIYIASFCCNPLSTTRGALIFDKLKEASEKGIKIIVLLDERGKRNLGELQSHCPDINFITVNIDKKNNVGLLLGCFWVSDDERCYVGNASFTGGSIHTIKTLGVYSDYPPLATDLRRRFDTFKAFNSAKNSAANLASAAAALPVSTAYHIKNPIGGVFFTDSPEHLLGYSRDLDTDVVIDKLKSAKTSIDIEHLAIVPTTRVDGNSYYWPDIYNSIIEAAINRGVKIRLLVGNWDKNDVYSMATARSLDALCVQNDLSVKVFTIQNNTKLLIVDDEYVHITSANFDGTHYQNHGFVSFNSIDKQLVSEAKKIFERDWVSSHSKSLKI
Canonical Sequence ...
HHHHHHHHGSGAGWSHPQFEKGGSGLVPRGSGSVPAGAKCRLVETLPENMDFRSDHLTTFECFNEIITLAKKYIYIASFCCNPLSTTRGALIFDKLKEASEKGIKIIVLLDERGKRNLGELQSHCPDINFITVNIDKKNNVGLLLGCFWVSDDERCYVGNASFTGGSIHTIKTLGVYSDYPPLATDLRRRFDTFKAFNSAKNSAANLASAAAALPVSTAYHIKNPIGGVFFTDSPEHLLGYSRDLDTDVVIDKLKSAKTSIDIEHLAIVPTTRVDGNSYYWPDIYNSIIEAAINRGVKIRLLVGNWDKNDVYSMATARSLDALCVQNDLSVKVFTIQNNTKLLIVDDEYVHITSANFDGTHYQNHGFVSFNSIDKQLVSEAKKIFERDWVSSHSKSLKI
Non polymer #2
A1I9D
InChI=1S/C21H28ClN3O3S/c1-14-9-10-18(17(22)13-14)23-29(27,28)20-16(3)24(4)15(2)19(20)21(26)25-11-7-5-6-8-12-25/h9-10,13,23H,5-8,11-12H2,1-4H3
InChI=1S/C21H28ClN3O3S/c1-14-9-10-18(17(22)13-14)23-29(27,28)20-16(3)24(4)15(2)19(20)21(26)25-11-7-5-6-8-12-25/h9-10,13,23H,5-8,11-12H2,1-4H3
SMILES: Cc1ccc(c(c1)Cl)NS(=O)(=O)c2c(n(c(c2C(=O)N3CCCCCC3)C)C)C
Cc1ccc(c(c1)Cl)NS(=O)(=O)c2c(n(c(c2C(=O)N3CCCCCC3)C)C)C
Non polymer #3
CIT
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Biounit #1
homo-dimer
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Model
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