2025-12-13_00000238
|
ligand
|
9SQI
Crystal structure of IL-17A in complex with compound 21;
X-ray diffraction 1.48Å
Protein #1
123 residues (88% resolved)
Raw Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Canonical Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Non polymer #2
A1JPQ
InChI=1S/C21H27BrN8O2/c1-12-18(29-32-28-12)21(31)25-19(14-5-3-2-4-6-14)20-24-16(26-27-20)9-13-7-8-17-23-10-15(22)30(17)11-13/h10,13-14,19H,2-9,11H2,1H3,(H,25,31)(H,24,26,27)/t13-,19+/m1/s1
InChI=1S/C21H27BrN8O2/c1-12-18(29-32-28-12)21(31)25-19(14-5-3-2-4-6-14)20-24-16(26-27-20)9-13-7-8-17-23-10-15(22)30(17)11-13/h10,13-14,19H,2-9,11H2,1H3,(H,25,31)(H,24,26,27)/t13-,19+/m1/s1
SMILES: Cc1c(non1)C(=O)N[C@H](c2[nH]nc(n2)C[C@H]3CCc4ncc(n4C3)Br)C5CCCCC5
Cc1c(non1)C(=O)N[C@H](c2[nH]nc(n2)C[C@H]3CCc4ncc(n4C3)Br)C5CCCCC5
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Tube
Model
Reference
100%