2024-09-07_00000135
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ligand
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8U1Y
E.coli DsbA in complex with N-(4-(thiophen-3-yl)benzyl)cyclohexanamine;
X-ray diffraction 1.74Å
Protein #1
189 residues (99% resolved)
Raw Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK
Canonical Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK
Non polymer #2
5V9
InChI=1S/C17H21NS/c1-2-4-17(5-3-1)18-12-14-6-8-15(9-7-14)16-10-11-19-13-16/h6-11,13,17-18H,1-5,12H2
InChI=1S/C17H21NS/c1-2-4-17(5-3-1)18-12-14-6-8-15(9-7-14)16-10-11-19-13-16/h6-11,13,17-18H,1-5,12H2
SMILES: c1cc(ccc1CNC2CCCCC2)c3ccsc3
c1cc(ccc1CNC2CCCCC2)c3ccsc3
Non polymer #3
CU
InChI=1S/Cu/q+2
InChI=1S/Cu/q+2
SMILES: [Cu+2]
[Cu+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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