2025-08-23_00000000
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ligand
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8TT8
Joint Xray/Neutron structure of Macrophage Migration Inhibitory Factor (MIF) Bound to 4-hydroxyphenylpyruvate at room temperature;
X-ray diffraction, neutron diffraction 1.75Å
Protein #1
114 residues (100% resolved)
Raw Sequence ...
PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
Canonical Sequence ...
PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
Non polymer #2
EN1
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
SMILES: c1cc(ccc1/C=C(\C(=O)O)/O)O
c1cc(ccc1/C=C(\C(=O)O)/O)O
Non polymer #3
ENO
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
SMILES: c1cc(ccc1CC(=O)C(=O)O)O
c1cc(ccc1CC(=O)C(=O)O)O
Non polymer #4
IPA
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES: CC(C)O
CC(C)O
Biounit #1
homo-trimer
Download coordinates
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Model
Reference
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