3WD3

Serratia marcescens Chitinase B complexed with azide inhibitor

Summary for 3WD3

Related3WD0 3WD1 3WD2 3WD4
DescriptorChitinase B, [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide, GLYCEROL, ... (5 entities in total)
Functional Keywordstim barrel, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceSerratia marcescens
Total number of polymer chains1
Total molecular weight57343.87
Authors
Hirose, T.,Maita, N.,Gouda, H.,Koseki, J.,Yamamoto, T.,Sugawara, A.,Nakano, H.,Hirono, S.,Shiomi, K.,Watanabe, T.,Taniguchi, H.,Sharpless, K.B.,Omura, S.,Sunazuka, T. (deposition date: 2013-06-06, release date: 2013-09-18, Last modification date: 2013-11-06)
Primary citation
Hirose, T.,Maita, N.,Gouda, H.,Koseki, J.,Yamamoto, T.,Sugawara, A.,Nakano, H.,Hirono, S.,Shiomi, K.,Watanabe, T.,Taniguchi, H.,Sharpless, K.B.,Omura, S.,Sunazuka, T.
Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110:15892-15897, 2013
PubMed: 24043811 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1315049110
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.196302.0%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution