2026-10-17_00000165
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ligand
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9SXS
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 1.87Å
Protein #1
364 residues (94% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRK
InChI=1S/C27H25N5O3/c1-35-21-9-4-17(5-10-21)6-11-26(34)30-25-13-24(31-32-25)23-15-29-27-22(23)12-20(14-28-27)19-7-2-18(16-33)3-8-19/h2-5,7-10,12-15,33H,6,11,16H2,1H3,(H,28,29)(H2,30,31,32,34)
InChI=1S/C27H25N5O3/c1-35-21-9-4-17(5-10-21)6-11-26(34)30-25-13-24(31-32-25)23-15-29-27-22(23)12-20(14-28-27)19-7-2-18(16-33)3-8-19/h2-5,7-10,12-15,33H,6,11,16H2,1H3,(H,28,29)(H2,30,31,32,34)
SMILES: COc1ccc(cc1)CCC(=O)Nc2cc(n[nH]2)c3c[nH]c4c3cc(cn4)c5ccc(cc5)CO
COc1ccc(cc1)CCC(=O)Nc2cc(n[nH]2)c3c[nH]c4c3cc(cn4)c5ccc(cc5)CO
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
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Model
Reference
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