2026-03-21_00000124
|
ligand
|
9PRF
Crystal structure of E.coli DsbA in-complex with analogue 6;
X-ray diffraction 1.61Å
Protein #1
188 residues (99% resolved)
Raw Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Canonical Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2
A1CJJ
InChI=1S/C18H19N3O4/c1-3-15(22)11-19-17(23)8-7-13-5-4-6-14(10-13)20-18(24)16-9-12(2)25-21-16/h4-6,9-10,15,22H,3,11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChI=1S/C18H19N3O4/c1-3-15(22)11-19-17(23)8-7-13-5-4-6-14(10-13)20-18(24)16-9-12(2)25-21-16/h4-6,9-10,15,22H,3,11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
SMILES: CC[C@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(on2)C)O
CC[C@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(on2)C)O
Non polymer #3
A1CQW
InChI=1S/C18H19N3O4/c1-3-15(22)11-19-17(23)8-7-13-5-4-6-14(10-13)20-18(24)16-9-12(2)25-21-16/h4-6,9-10,15,22H,3,11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChI=1S/C18H19N3O4/c1-3-15(22)11-19-17(23)8-7-13-5-4-6-14(10-13)20-18(24)16-9-12(2)25-21-16/h4-6,9-10,15,22H,3,11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1
SMILES: CC[C@@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(on2)C)O
CC[C@@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(on2)C)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%