2026-10-17_00000172
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ligand
|
9SY0
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 1.55Å
Protein #1
364 residues (94% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHI(CME)YFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLN(CME)IINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRV
InChI=1S/C26H23N5O3/c32-14-17-6-8-19(9-7-17)20-10-21-22(13-28-26(21)27-12-20)23-11-24(31-30-23)29-25(33)16-34-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H,27,28)(H2,29,30,31,33)
InChI=1S/C26H23N5O3/c32-14-17-6-8-19(9-7-17)20-10-21-22(13-28-26(21)27-12-20)23-11-24(31-30-23)29-25(33)16-34-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H,27,28)(H2,29,30,31,33)
SMILES: c1ccc(cc1)COCC(=O)Nc2cc(n[nH]2)c3c[nH]c4c3cc(cn4)c5ccc(cc5)CO
c1ccc(cc1)COCC(=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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