2025-10-11_00000238|ligand|9YIC

Crystal structure of human IL-17A in complex with Compound 1; X-ray diffraction 3.15Å

Protein #1 122 residues (84% resolved)

Raw Sequence ...

MNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAQCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVQ

Canonical Sequence ...

MNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAQCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVQ

Non polymer #2 A1CXF

InChI=1S/C29H38N4O3S/c1-29(2)25(30-16-17-37-29)28(36)31-19-20-10-9-13-22(18-20)26(34)33-24(21-11-5-3-6-12-21)27(35)32-23-14-7-4-8-15-23/h4,7-10,13-15,18,21,24-25,30H,3,5-6,11-12,16-17,19H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t24-,25-/m0/s1

InChI=1S/C29H38N4O3S/c1-29(2)25(30-16-17-37-29)28(36)31-19-20-10-9-13-22(18-20)26(34)33-24(21-11-5-3-6-12-21)27(35)32-23-14-7-4-8-15-23/h4,7-10,13-15,18,21,24-25,30H,3,5-6,11-12,16-17,19H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t24-,25-/m0/s1

SMILES: CC1([C@@H](NCCS1)C(=O)NCc2cccc(c2)C(=O)N[C@@H](C3CCCCC3)C(=O)Nc4ccccc4)C

CC1([C@@H](NCCS1)C(=O)NCc2cccc(c2)C(=O)N[C@@H](C3CCCCC3)C(=O)Nc4ccccc4)C

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference