2026-05-09_00000140
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ligand
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9SJP
Single-chain chimeric protein mimicking the interaction between HR1 and HR2 in HIV gp41 bound to ANS;
X-ray diffraction 1.15Å
Protein #1
205 residues (95% resolved)
Raw Sequence ...
MYTSLIHSLIEESQNQQEKNEQELLELGEGEARQELSGIVQKQNNLLRQIEAQQHLLQLTVSKIKQLQARILAVERYLKDQQLGKGNQPQQDKLYREVALIRAQLQKIESETLQLLHQQAEIERELNNQEQEIGSLKQRGLIDGPLLSGIDQQQNNLKRAIEAQKHLLQLTVWGIKQLQARILAVERYLKDQQLGGGGSHHHHHH
Canonical Sequence ...
MYTSLIHSLIEESQNQQEKNEQELLELGEGEARQELSGIVQKQNNLLRQIEAQQHLLQLTVSKIKQLQARILAVERYLKDQQLGKGNQPQQDKLYREVALIRAQLQKIESETLQLLHQQAEIERELNNQEQEIGSLKQRGLIDGPLLSGIDQQQNNLKRAIEAQKHLLQLTVWGIKQLQARILAVERYLKDQQLGGGGSHHHHHH
Non polymer #2
2AN
InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
SMILES: c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
Non polymer #3
ANL
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
SMILES: c1ccc(cc1)N
c1ccc(cc1)N
Biounit #1
homo-dimer
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Model
Reference
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