4B79

THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY.

Summary for 4B79

Related4AVY
DescriptorPROBABLE SHORT-CHAIN DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (3 entities in total)
Functional Keywordsoxidoreductase, infectious disease, structure-based inhibitor design
Biological sourcePSEUDOMONAS AERUGINOSA PAO1
Total number of polymer chains2
Total molecular weight52737.45
Authors
Moynie, L.,McMahon, S.A.,Alphey, M.S.,Liu, H.,Duthie, F.,Naismith, J.H. (deposition date: 2012-08-16, release date: 2012-08-29, Last modification date: 2013-01-23)
Primary citation
Moynie, L.,Schnell, R.,Mcmahon, S.A.,Sandalova, T.,Boulkerou, W.A.,Schmidberger, J.W.,Alphey, M.S.,Cukier, C.,Duthie, F.,Kopec, J.,Liu, H.,Jacewicz, A.,Hunter, W.N.,Naismith, J.H.,Schneider, G.
The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69:25-, 2013
PubMed: 23295481 (PDB entries with the same primary citation)
DOI: 10.1107/S1744309112044739
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.98 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.213400.6%2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution