2025-12-06_00000249
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ligand
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9QFR
Crystal structure of Def1 in complex with actinonin;
X-ray diffraction 1.52Å
Protein #1
181 residues (93% resolved)
Raw Sequence ...
MHHHHHHGSGSGSSVLQVLTFPDDRLRTVAKPVEQVTPEIQQIVDDMLETMYAEEGIGLAATQVDIHQRIVVIDISETRDQPMVLINPEIIEKRGEDGIEEGCLSVPGARALVPRAAEVTVKALDRNGQEYQFDADDLLAICVQHELDHLAGKLFVDYLSPLKRNRIKEKLEKIKRFNEKK
Canonical Sequence ...
MHHHHHHGSGSGSSVLQVLTFPDDRLRTVAKPVEQVTPEIQQIVDDMLETMYAEEGIGLAATQVDIHQRIVVIDISETRDQPMVLINPEIIEKRGEDGIEEGCLSVPGARALVPRAAEVTVKALDRNGQEYQFDADDLLAICVQHELDHLAGKLFVDYLSPLKRNRIKEKLEKIKRFNEKK
Non polymer #2
BB2
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
SMILES: CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Non polymer #3
NI
InChI=1S/Ni/q+2
InChI=1S/Ni/q+2
SMILES: [Ni+2]
[Ni+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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