2024-11-16_00000056
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hard
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8UQF
Crystal structure of designed cortisol-binding protein hcy129_mpnn5;
X-ray diffraction 1.52Å
Protein #1
135 residues (93% resolved)
Raw Sequence ...
MSGTSSEEAKEAIIAMLKEWYDAMNEGDMEKLRSLVDPDASFVDARTNQVYDKDQFLQMIKEALEQDLKVEVKSIDIEQQPDGDVVIVKVKVRATMVRNGQEHVFEVVDTYEFRRKGDSWKIVKLVSEITQLGSG
Canonical Sequence ...
MSGTSSEEAKEAIIAMLKEWYDAMNEGDMEKLRSLVDPDASFVDARTNQVYDKDQFLQMIKEALEQDLKVEVKSIDIEQQPDGDVVIVKVKVRATMVRNGQEHVFEVVDTYEFRRKGDSWKIVKLVSEITQLGSG
Non polymer #2
HCY
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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