2026-10-17_00000166
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ligand
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9SXT
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 1.72Å
Protein #1
364 residues (95% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHI(CME)YFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRJ
InChI=1S/C23H24N6O2/c30-14-15-3-5-16(6-4-15)17-9-18-19(12-25-23(18)24-11-17)20-10-21(28-27-20)26-22(31)13-29-7-1-2-8-29/h3-6,9-12,30H,1-2,7-8,13-14H2,(H,24,25)(H2,26,27,28,31)
InChI=1S/C23H24N6O2/c30-14-15-3-5-16(6-4-15)17-9-18-19(12-25-23(18)24-11-17)20-10-21(28-27-20)26-22(31)13-29-7-1-2-8-29/h3-6,9-12,30H,1-2,7-8,13-14H2,(H,24,25)(H2,26,27,28,31)
SMILES: c1cc(ccc1CO)c2cc3c(c[nH]c3nc2)c4cc([nH]n4)NC(=O)CN5CCCC5
c1cc(ccc1CO)c2cc3c(c[nH]c3nc2)c4cc([nH]n4)NC(=O)CN5CCCC5
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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