Serratia marcescens Chitinase B complexed with macrolide inhibitor 29

Summary for 4Z2H

Related3WD0 4Z2G 4Z2I 4Z2J 4Z2K 4Z2L
DescriptorChitinase B, (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, GLYCEROL, ... (5 entities in total)
Functional Keywordschitinase, inhibitor, macrolide, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceSerratia marcescens
Total number of polymer chains1
Total molecular weight57197.25
Maita, N.,Sugawara, A.,Sunazuka, T. (deposition date: 2015-03-30, release date: 2015-07-01, Last modification date: 2015-07-08)
Primary citation
Sugawara, A.,Maita, N.,Gouda, H.,Yamamoto, T.,Hirose, T.,Kimura, S.,Saito, Y.,Nakano, H.,Kasai, T.,Nakano, H.,Shiomi, K.,Hirono, S.,Watanabe, T.,Taniguchi, H.,Omura, S.,Sunazuka, T.
Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58:4984-4997, 2015
PubMed: 26030312 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b00175
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.204200.5%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution