2026-09-12_00000229|ligand|9TXD

N-terminal domain of ClpC from S. aureus; X-ray diffraction 1.90Å

Protein #1 163 residues (83% resolved)

Raw Sequence ...

MLFGRLTERAQRVLAHAQEEAIRLNHSNIGTEHLLLGLMKEPEGIAAKVLESFNITEDKVIEEVEKLIGHGQDHVGTLHYTPRAKKVIELSMDEARKLHHNFVGTEHILLGLIRENEGVAARVFANLDLNITKARAQVVKALGNPEMSNKNAQASLEHHHHHH

Canonical Sequence ...

MLFGRLTERAQRVLAHAQEEAIRLNHSNIGTEHLLLGLMKEPEGIAAKVLESFNITEDKVIEEVEKLIGHGQDHVGTLHYTPRAKKVIELSMDEARKLHHNFVGTEHILLGLIRENEGVAARVFANLDLNITKARAQVVKALGNPEMSNKNAQASLEHHHHHH

Non polymer #2 A1JXU

InChI=1S/C30H27N7O6S2/c1-42-21-9-3-18(4-10-21)25-15-26(19-5-11-22(43-2)12-6-19)37(35-25)27(38)17-44-30-33-28-24(29(39)34-30)16-32-36(28)20-7-13-23(14-8-20)45(31,40)41/h3-14,16,26H,15,17H2,1-2H3,(H2,31,40,41)(H,33,34,39)/t26-/m1/s1

InChI=1S/C30H27N7O6S2/c1-42-21-9-3-18(4-10-21)25-15-26(19-5-11-22(43-2)12-6-19)37(35-25)27(38)17-44-30-33-28-24(29(39)34-30)16-32-36(28)20-7-13-23(14-8-20)45(31,40)41/h3-14,16,26H,15,17H2,1-2H3,(H2,31,40,41)(H,33,34,39)/t26-/m1/s1

SMILES: COc1ccc(cc1)[C@H]2CC(=NN2C(=O)CSC3=Nc4c(cnn4c5ccc(cc5)S(=O)(=O)N)C(=O)N3)c6ccc(cc6)OC

COc1ccc(cc1)[C@H]2CC(=NN2C(=O)CSC3=Nc4c(cnn4c5ccc(cc5)S(=O)(=O)N)C(=O)N3)c6ccc(cc6)OC

Biounit #1 monomer

Reference