5ER4

Crystal Structure of Calcium-loaded S100B bound to SC0025

Summary for 5ER4

Entry DOI	10.2210/pdb5er4/pdb
Related	4PE7 5DKR 5ER5
Descriptor	Protein S100-B, CALCIUM ION, 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, ... (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	1
Total formula weight	11069.53
Authors	Cavalier, M.C.,Melville, Z.E.,Aligholizadeh, E.,Fang, L.,Alasady, M.J.,Pierce, A.D.,Wilder, P.T.,MacKerell Jr., A.D.,Weber, D.J. (deposition date: 2015-11-13, release date: 2016-06-08, Last modification date: 2023-09-27)
Primary citation	Cavalier, M.C.,Melville, Z.,Aligholizadeh, E.,Raman, E.P.,Yu, W.,Fang, L.,Alasady, M.,Pierce, A.D.,Wilder, P.T.,MacKerell, A.D.,Weber, D.J. Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography. Acta Crystallogr D Struct Biol, 72:753-760, 2016 Cited by PubMed: 27303795 DOI: 10.1107/S2059798316005532 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.813 Å)

Structure validation