4A51

Crystal structure of human kinesin Eg5 in complex with 1-(3-(((2-Aminoethyl)thio)diphenylmethyl)phenyl)ethanone hydrochloride

Summary for 4A51

Related2FKY 2X7C 2XAE 1Q0B 2X2R 2UYM 2FL6 2X7D 4A28 2X7E 1II6 2UYI 2WOG 4A1Z 2G1Q 1YRS 2GM1 1X88 2FL2 4A2T 4A50
DescriptorKINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (7 entities in total)
Functional Keywordscell cycle, mitosis, inhibitor, ksp
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm P52732
Total number of polymer chains7
Total molecular weight293672.52
Authors
Kaan, H.Y.K.,Kozielski, F. (deposition date: 2011-10-24, release date: 2012-10-31, Last modification date: 2013-02-27)
Primary citation
Wang, F.,Good, J.A.D.,Rath, O.,Kaan, H.Y.K.,Sutcliffe, O.B.,Mackay, S.P.,Kozielski, F.
Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55:1511-, 2012
PubMed: 22248262 (PDB entries with the same primary citation)
DOI: 10.1021/JM201195M
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.75 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.269290.2%12.8%13.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution