2026-10-17_00000164
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ligand
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9SXR
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 2.00Å
Protein #1
364 residues (95% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRL
InChI=1S/C26H23N5O3/c1-34-23-5-3-2-4-18(23)11-25(33)29-24-12-22(30-31-24)21-14-28-26-20(21)10-19(13-27-26)17-8-6-16(15-32)7-9-17/h2-10,12-14,32H,11,15H2,1H3,(H,27,28)(H2,29,30,31,33)
InChI=1S/C26H23N5O3/c1-34-23-5-3-2-4-18(23)11-25(33)29-24-12-22(30-31-24)21-14-28-26-20(21)10-19(13-27-26)17-8-6-16(15-32)7-9-17/h2-10,12-14,32H,11,15H2,1H3,(H,27,28)(H2,29,30,31,33)
SMILES: COc1ccccc1CC(=O)Nc2cc(n[nH]2)c3c[nH]c4c3cc(cn4)c5ccc(cc5)CO
COc1ccccc1CC(=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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