2026-10-17_00000167
|
ligand
|
9SXU
Crystal structure of ERK2 in complex with a ligand;
X-ray diffraction 2.01Å
Protein #1
364 residues (94% resolved)
Raw Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTT(CME)DLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Canonical Sequence ...
HHHHHHMAAAAAAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Non polymer #2
A1JRS
InChI=1S/C22H16ClN5O2S/c23-15-3-1-2-12(6-15)20(29)22(30)26-19-8-18(27-28-19)17-10-25-21-16(17)7-14(9-24-21)13-4-5-31-11-13/h1-11,20,29H,(H,24,25)(H2,26,27,28,30)/t20-/m1/s1
InChI=1S/C22H16ClN5O2S/c23-15-3-1-2-12(6-15)20(29)22(30)26-19-8-18(27-28-19)17-10-25-21-16(17)7-14(9-24-21)13-4-5-31-11-13/h1-11,20,29H,(H,24,25)(H2,26,27,28,30)/t20-/m1/s1
SMILES: c1cc(cc(c1)Cl)[C@H](C(=O)Nc2cc([nH]n2)c3c[nH]c4c3cc(cn4)c5ccsc5)O
c1cc(cc(c1)Cl)[C@H](C(=O)Nc2cc([nH]n2)c3c[nH]c4c3cc(cn4)c5ccsc5)O
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
Tube
Model
Reference
100%