2024-07-20_00000274
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ligand
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9BNR
4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor;
X-ray diffraction 1.53Å
Protein #1
114 residues (100% resolved)
Raw Sequence ...
PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
Canonical Sequence ...
PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
Non polymer #2
A1AQT
InChI=1S/C9H12N2O2S2/c10-15(12,13)9-3-1-8(2-4-9)5-6-11-7-14/h1-4,7H,5-6H2,(H,11,14)(H2,10,12,13)
InChI=1S/C9H12N2O2S2/c10-15(12,13)9-3-1-8(2-4-9)5-6-11-7-14/h1-4,7H,5-6H2,(H,11,14)(H2,10,12,13)
SMILES: c1cc(ccc1CCNC=S)S(=O)(=O)N
c1cc(ccc1CCNC=S)S(=O)(=O)N
Biounit #1
homo-trimer
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Model
Reference
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