2025-11-15_00000060
|
ligand
|
9EFJ
Irreversible Mcl-1/HIT2 Complex;
X-ray diffraction 1.82Å
Protein #1
152 residues (99% resolved)
Raw Sequence ...
DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVED
Canonical Sequence ...
DELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVED
Non polymer #2
A1BI3
InChI=1S/C15H14N2O5S/c18-15(14-6-5-10-3-1-2-4-13(10)14)17-11-7-12(9-16-8-11)22-23(19,20)21/h1-4,7-9,14H,5-6H2,(H,17,18)(H,19,20,21)/t14-/m1/s1
InChI=1S/C15H14N2O5S/c18-15(14-6-5-10-3-1-2-4-13(10)14)17-11-7-12(9-16-8-11)22-23(19,20)21/h1-4,7-9,14H,5-6H2,(H,17,18)(H,19,20,21)/t14-/m1/s1
SMILES: c1ccc2c(c1)CC[C@H]2C(=O)Nc3cc(cnc3)OS(=O)(=O)O
c1ccc2c(c1)CC[C@H]2C(=O)Nc3cc(cnc3)OS(=O)(=O)O
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%