Crystal structure of human S100B in complex with S45

Summary for 3HCM

DescriptorProtein S100-B, CALCIUM ION, (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ... (5 entities in total)
Functional Keywordss100b, calcium binding protein, inhibitor, calcium, cytoplasm, metal-binding, nucleus, metal binding protein
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P04271
Total number of polymer chains2
Total molecular weight22200.88
Mangani, S.,Cesari, L. (deposition date: 2009-05-06, release date: 2010-02-02, Last modification date: 2017-10-04)
Primary citation
Agamennone, M.,Cesari, L.,Lalli, D.,Turlizzi, E.,Del Conte, R.,Turano, P.,Mangani, S.,Padova, A.
Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5:428-435, 2010
PubMed: 20077460 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.200900393
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.313210.6%6.1%1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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