2026-05-16_00000234
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hard
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9NZE
De novo designed exatecan-binding protein, EPIC;
X-ray diffraction 1.96Å
Protein #1
148 residues (100% resolved)
Raw Sequence ...
EDLIKKIKEIIKKLKELGAELEKALDRLKKAAEAKDIEAAEEALAELLKLQEEMLVLLEELKATVEKLLEEVRKIDTPAATKKVEVLEKLLDAINKMIDIVKEGLKILKEVKDLEELEEAIKEVEVLVKEADKYAAEIEEEYAKYLAI
Canonical Sequence ...
EDLIKKIKEIIKKLKELGAELEKALDRLKKAAEAKDIEAAEEALAELLKLQEEMLVLLEELKATVEKLLEEVRKIDTPAATKKVEVLEKLLDAINKMIDIVKEGLKILKEVKDLEELEEAIKEVEVLVKEADKYAAEIEEEYAKYLAI
Non polymer #2
A1B7L
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4c5c6c(cc(c(c6CC[C@@H]5N)C)F)nc4C3=C2)O
CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4c5c6c(cc(c(c6CC[C@@H]5N)C)F)nc4C3=C2)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #5
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #6
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #7
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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