TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains

Summary for 4RJD

Related1CTR 1A29 1LIN
DescriptorCalmodulin, CALCIUM ION, 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, ... (8 entities in total)
Functional Keywordsanti-psychotic, antagonist, ca2+ binding, central nervous system, trifluoromethyl, promiscuous binding, tfp-binding, calcium-binding protein
Biological sourceRattus norvegicus (brown rat,rat,rats)
Total number of polymer chains2
Total molecular weight17462.16
Feldkamp, M.D.,Gakhar, L.,Pandey, N.,Shea, M.A. (deposition date: 2014-10-08, release date: 2015-08-26, Last modification date: 2017-11-22)
Primary citation
Feldkamp, M.D.,Gakhar, L.,Pandey, N.,Shea, M.A.
Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Proteins, 83:989-996, 2015
PubMed: 25694384 (PDB entries with the same primary citation)
DOI: 10.1002/prot.24781
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2547003.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report