3D3H

Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A

Summary for 3D3H

Related2OQO
DescriptorPenicillin-insensitive transglycosylase, (2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid (3 entities in total)
Functional Keywordspeptidoglycan glycosyltransferase, cell wall biosynthesis, antibiotics, penicillin-binding protein, transglycosylase, moenomycin, antibiotic resistance, cell shape, cell wall biogenesis/degradation, hydrolase, inner membrane, membrane, multifunctional enzyme, peptidoglycan synthesis, signal-anchor, transmembrane, transferase-antibiotic complex, transferase/antibiotic
Biological sourceAquifex aeolicus
Cellular locationCell inner membrane; Single-pass type II membrane protein (By similarity) O66874
Total number of polymer chains1
Total molecular weight24194.58
Authors
Yuan, Y.,Sliz, P.,Walker, S. (deposition date: 2008-05-11, release date: 2008-07-22, Last modification date: 2011-07-13)
Primary citation
Yuan, Y.,Fuse, S.,Ostash, B.,Sliz, P.,Kahne, D.,Walker, S.
Structural analysis of the contacts anchoring moenomycin to peptidoglycan glycosyltransferases and implications for antibiotic design.
Acs Chem.Biol., 3:429-436, 2008
PubMed: 18642800 (PDB entries with the same primary citation)
DOI: 10.1021/cb800078a
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.31 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.259120.6%5.5%9.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report