4FQO

Crystal Structure of Calcium-Loaded S100B Bound to SBi4211

Summary for 4FQO

• Entry DOI: 10.2210/pdb4fqo/pdb
• Related: 3CR4
• Descriptor: Protein S100-B, CALCIUM ION, 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, ... (4 entities in total)
• Functional Keywords: protein-inhibitor complex, ef-hand protein, calcium binding protein, protein binding-inhibitor complex, protein binding/inhibitor
• Biological source: Bos taurus (bovine)
• Cellular location: Cytoplasm: P02638
• Total number of polymer chains: 1
• Total formula weight: 10734.23

Authors

McKnight, L.E.,Raman, E.P.,Bezawada, P.,Kudrimoti, S.,Wilder, P.T.,Hartman, K.G.,Toth, E.A.,Coop, A.,MacKerrell, A.D.,Weber, D.J. (deposition date: 2012-06-25, release date: 2012-10-17, Last modification date: 2024-03-13)

• Primary citation: McKnight, L.E.,Raman, E.P.,Bezawada, P.,Kudrimoti, S.,Wilder, P.T.,Hartman, K.G.,Godoy-Ruiz, R.,Toth, E.A.,Coop, A.,Mackerell, A.D.,Weber, D.J.; Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.; ACS Med Chem Lett, 3:975-979, 2012; PubMed: 23264854; DOI: 10.1021/ml300166s

Experimental method

X-RAY DIFFRACTION (1.65 Å)