2026-03-21_00000031
|
ligand
|
23ES
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11;
X-ray diffraction 1.74Å
Protein #1
286 residues (99% resolved)
Raw Sequence ...
QLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ
Canonical Sequence ...
QLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ
Non polymer #2
A1E5A
InChI=1S/C16H11ClFN5O/c1-6-4-10-12(15(17)21-6)11(13(19)16(24)22-10)7-2-3-9(18)14-8(7)5-20-23-14/h2-5H,19H2,1H3,(H,20,23)(H,22,24)
InChI=1S/C16H11ClFN5O/c1-6-4-10-12(15(17)21-6)11(13(19)16(24)22-10)7-2-3-9(18)14-8(7)5-20-23-14/h2-5H,19H2,1H3,(H,20,23)(H,22,24)
SMILES: Cc1cc2c(c(n1)Cl)C(=C(C(=O)N2)N)c3ccc(c4c3c[nH]n4)F
Cc1cc2c(c(n1)Cl)C(=C(C(=O)N2)N)c3ccc(c4c3c[nH]n4)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%