2024-09-28_00000255
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ligand
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9FL3
Crystal structure of IL-17A in complex with compound 26;
X-ray diffraction 2.07Å
Protein #1
123 residues (80% resolved)
Raw Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Canonical Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Non polymer #2
A1IDS
InChI=1S/C26H30F6N6O3/c1-41-13-19(37-12-20(26(30,31)32)35-24(37)40)16-9-21-34-18(11-38(21)33-10-16)22(15-4-6-25(28,29)7-5-15)36-23(39)17(27)8-14-2-3-14/h8-11,14-15,19-20,22H,2-7,12-13H2,1H3,(H,35,40)(H,36,39)/b17-8+/t19-,20+,22+/m1/s1
InChI=1S/C26H30F6N6O3/c1-41-13-19(37-12-20(26(30,31)32)35-24(37)40)16-9-21-34-18(11-38(21)33-10-16)22(15-4-6-25(28,29)7-5-15)36-23(39)17(27)8-14-2-3-14/h8-11,14-15,19-20,22H,2-7,12-13H2,1H3,(H,35,40)(H,36,39)/b17-8+/t19-,20+,22+/m1/s1
SMILES: COC[C@H](c1cc2nc(cn2nc1)[C@H](C3CCC(CC3)(F)F)NC(=O)/C(=CC4CC4)/F)N5C[C@H](NC5=O)C(F)(F)F
COC[C@H](c1cc2nc(cn2nc1)[C@H](C3CCC(CC3)(F)F)NC(=O)/C(=CC4CC4)/F)N5C[C@H](NC5=O)C(F)(F)F
Biounit #1
homo-dimer
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Model
Reference
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