2025-01-18_00000307
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ligand
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9H4O
Crystal structure of IL-17A in complex with compound 11;
X-ray diffraction 2.00Å
Protein #1
123 residues (88% resolved)
Raw Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Canonical Sequence ...
MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA
Non polymer #2
A1ISG
InChI=1S/C22H25F6N5O3S/c23-14(7-11-1-2-11)17(34)31-16(12-3-5-21(24,25)6-4-12)18(35)32-19-29-8-13(37-19)9-33-10-15(22(26,27)28)30-20(33)36/h7-8,11-12,15-16H,1-6,9-10H2,(H,30,36)(H,31,34)(H,29,32,35)/b14-7+/t15-,16-/m0/s1
InChI=1S/C22H25F6N5O3S/c23-14(7-11-1-2-11)17(34)31-16(12-3-5-21(24,25)6-4-12)18(35)32-19-29-8-13(37-19)9-33-10-15(22(26,27)28)30-20(33)36/h7-8,11-12,15-16H,1-6,9-10H2,(H,30,36)(H,31,34)(H,29,32,35)/b14-7+/t15-,16-/m0/s1
SMILES: c1c(sc(n1)NC(=O)[C@H](C2CCC(CC2)(F)F)NC(=O)/C(=CC3CC3)/F)CN4C[C@H](NC4=O)C(F)(F)F
c1c(sc(n1)NC(=O)[C@H](C2CCC(CC2)(F)F)NC(=O)/C(=CC3CC3)/F)CN4C[C@H](NC4=O)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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