2024-03-30_00000200
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ligand
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8USS
IL17A complexed to Compound 7;
X-ray diffraction 1.47Å
Protein #1
127 residues (84% resolved)
Raw Sequence ...
GSAMAPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Canonical Sequence ...
GSAMAPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
XCW
InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1
InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1
SMILES: CN1c2ccccc2OC[C@@H](C1=O)NC(=O)[C@H](C3CCCCC3)NC(=O)c4cc(c([nH]4)Cl)Cl
CN1c2ccccc2OC[C@@H](C1=O)NC(=O)[C@H](C3CCCCC3)NC(=O)c4cc(c([nH]4)Cl)Cl
Biounit #1
monomer
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Model
Reference
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