5DKN
Crystal Structure of Calcium-loaded S100B bound to SBi4225
Summary for 5DKN
Entry DOI | 10.2210/pdb5dkn/pdb |
Related | 5DKQ 5DKR |
Descriptor | Protein S100-B, CALCIUM ION, 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), ... (4 entities in total) |
Functional Keywords | malignant melanoma, calcium binding, covalent inhibitor, metal binding protein-inhibitor complex, metal binding protein/inhibitor |
Biological source | Bos taurus (Bovine) |
Total number of polymer chains | 1 |
Total formula weight | 11178.65 |
Authors | Cavalier, M.C.,Ansari, M.I.,Pierce, A.D.,Wilder, P.T.,McKnight, L.E.,Raman, E.P.,Neau, D.B.,Bezawada, P.,Alasady, M.J.,Varney, K.M.,Toth, E.A.,MacKerell Jr., A.D.,Coop, A.,Weber, D.J. (deposition date: 2015-09-03, release date: 2016-01-20, Last modification date: 2023-09-27) |
Primary citation | Cavalier, M.C.,Ansari, M.I.,Pierce, A.D.,Wilder, P.T.,McKnight, L.E.,Raman, E.P.,Neau, D.B.,Bezawada, P.,Alasady, M.J.,Charpentier, T.H.,Varney, K.M.,Toth, E.A.,MacKerell, A.D.,Coop, A.,Weber, D.J. Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59:592-608, 2016 Cited by PubMed: 26727270DOI: 10.1021/acs.jmedchem.5b01369 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.528 Å) |
Structure validation
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