2025-01-18_00000306
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ligand
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9H4D
Crystal structure of IL-17A in complex with compound 18;
X-ray diffraction 2.12Å
Protein #1
123 residues (81% resolved)
Raw Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Canonical Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Non polymer #2
A1ISH
InChI=1S/C25H26F3N5O3S/c26-17(11-14-5-6-14)21(34)31-20(15-7-9-25(27,28)10-8-15)22(35)32-23-29-12-16(37-23)13-33-19-4-2-1-3-18(19)30-24(33)36/h1-4,11-12,14-15,20H,5-10,13H2,(H,30,36)(H,31,34)(H,29,32,35)/b17-11+/t20-/m0/s1
InChI=1S/C25H26F3N5O3S/c26-17(11-14-5-6-14)21(34)31-20(15-7-9-25(27,28)10-8-15)22(35)32-23-29-12-16(37-23)13-33-19-4-2-1-3-18(19)30-24(33)36/h1-4,11-12,14-15,20H,5-10,13H2,(H,30,36)(H,31,34)(H,29,32,35)/b17-11+/t20-/m0/s1
SMILES: c1ccc2c(c1)NC(=O)N2Cc3cnc(s3)NC(=O)[C@H](C4CCC(CC4)(F)F)NC(=O)/C(=CC5CC5)/F
c1ccc2c(c1)NC(=O)N2Cc3cnc(s3)NC(=O)[C@H](C4CCC(CC4)(F)F)NC(=O)/C(=CC5CC5)/F
Biounit #1
homo-dimer
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Model
Reference
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