4PE0

Crystal Structure of Calcium-loaded S100B bound to SBi4434

Summary for 4PE0

Entry DOI	10.2210/pdb4pe0/pdb
Related	4PDZ 4PE1 4PE4 4PE7
Descriptor	Protein S100-B, 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, ... (4 entities in total)
Functional Keywords	malignant melanoma, calcium binding, covalent inhibitor, complex, metal binding protein-inhibitor complex, metal binding protein/inhibitor
Biological source	Bos taurus (Bovine)
Total number of polymer chains	2
Total formula weight	21992.80
Authors	Cavalier, M.C.,Pierce, P.D.,Wilder, P.T.,Neau, D.,Toth, E.A.,Weber, D.J. (deposition date: 2014-04-22, release date: 2014-11-05, Last modification date: 2023-09-27)
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 (1.08 Å)

Structure validation