Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine

Summary for 6HB5

Related6HB7 6HB6
DescriptorTyrosine--tRNA ligase, [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordsprotein-inhibitor complex, rossmann fold, trna aminoacylation, ligase
Biological sourceEscherichia coli (strain B / BL21-DE3)
Total number of polymer chains2
Total molecular weight96382.26
De Graef, S.,Pang, L.,Strelkov, S.V.,Weeks, S.D. (deposition date: 2018-08-09, release date: 2019-04-17, Last modification date: 2019-05-01)
Primary citation
Nautiyal, M.,De Graef, S.,Pang, L.,Gadakh, B.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.
Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173:154-166, 2019
PubMed: 30995568 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2019.04.003
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22310 1.3% 2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6hb5
no rotation
Molmil generated image of 6hb5
rotated about x axis by 90°
Molmil generated image of 6hb5
rotated about y axis by 90°