6A7P

Human serum albumin complexed with aripiprazole

Summary for 6A7P

DescriptorSerum albumin, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, ... (6 entities in total)
Functional Keywordstransport protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight134406.6
Authors
Kawai, A.,Yamasaki, K.,Otagiri, M. (deposition date: 2018-07-03, release date: 2018-10-24, Last modification date: 2019-12-25)
Primary citation
Sakurama, K.,Kawai, A.,Tuan Giam Chuang, V.,Kanamori, Y.,Osa, M.,Taguchi, K.,Seo, H.,Maruyama, T.,Imoto, S.,Yamasaki, K.,Otagiri, M.
Analysis of the Binding of Aripiprazole to Human Serum Albumin: The Importance of a Chloro-Group in the Chemical Structure.
Acs Omega, 3:13790-13797, 2018
PubMed: 30411049 (PDB entries with the same primary citation)
DOI: 10.1021/acsomega.8b02057
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.28 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2557 0.1% 1.1% 2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload