2026-03-21_00000128
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ligand
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9PRJ
Crystal structure of E.coli DsbA in-complex with analogue 13;
X-ray diffraction 1.81Å
Protein #1
188 residues (98% resolved)
Raw Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Canonical Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2
A1CJN
InChI=1S/C23H21N3O4/c1-16-12-21(26-30-16)23(29)25-19-9-5-8-18(13-19)10-11-22(28)24-20(15-27)14-17-6-3-2-4-7-17/h2-9,12-13,20,27H,14-15H2,1H3,(H,24,28)(H,25,29)/t20-/m0/s1
InChI=1S/C23H21N3O4/c1-16-12-21(26-30-16)23(29)25-19-9-5-8-18(13-19)10-11-22(28)24-20(15-27)14-17-6-3-2-4-7-17/h2-9,12-13,20,27H,14-15H2,1H3,(H,24,28)(H,25,29)/t20-/m0/s1
SMILES: Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccccc3)CO
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccccc3)CO
Non polymer #3
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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