4PE4

Crystal Structure of Calcium-loaded S100B bound to SC1475

Summary for 4PE4

Entry DOI	10.2210/pdb4pe4/pdb
Related	4PDZ 4PE0 4PE1 4PE7
Descriptor	Protein S100-B, 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, ... (4 entities in total)
Functional Keywords	malignant melanoma, calcium binding, complex, covalent inhibitor, metal binding protein-inhibitor complex, metal binding protein/inhibitor
Biological source	Bos taurus (Bovine)
Total number of polymer chains	2
Total formula weight	22100.94
Authors	Cavalier, M.C.,Pierce, A.D.,Wilder, P.T.,Neau, D.,Toth, E.A.,Weber, D.J. (deposition date: 2014-04-22, release date: 2014-10-15, Last modification date: 2023-12-27)
Primary citation	Cavalier, M.C.,Pierce, A.D.,Wilder, P.T.,Alasady, M.J.,Hartman, K.G.,Neau, D.B.,Foley, T.L.,Jadhav, A.,Maloney, D.J.,Simeonov, A.,Toth, E.A.,Weber, D.J. Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53:6628-6640, 2014 Cited by PubMed: 25268459 DOI: 10.1021/bi5005552 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.178 Å)

Structure validation