2026-03-21_00000125|ligand|9PRG

Crystal structure of E.coli DsbA in-complex with analogue 7; X-ray diffraction 1.65Å
Protein #1 188 residues (99% resolved)

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2 A1CJK

InChI=1S/C22H19N3O4/c1-15-12-19(25-29-15)22(28)23-18-9-5-6-16(13-18)10-11-21(27)24-20(14-26)17-7-3-2-4-8-17/h2-9,12-13,20,26H,14H2,1H3,(H,23,28)(H,24,27)/t20-/m1/s1

Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@H](CO)c3ccccc3
Non polymer #3 LYS

InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1

C(CC[NH3+])C[C@@H](C(=O)O)N
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Reference