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NDB ID: NA2334    PDB ID: 3ZJV 


Title:

TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3213 IN THE EDITING CONFORMATION

Molecular Description:

LEUCINE--TRNA LIGASE (E.C.6.1.1.4)

Structural Keywords:

DOUBLE HELIX, HAIRPIN LOOP, BASE TRIPLET,FLIPPED OUT BASES

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Hernandez, V., Crepin, T., Palencia, A., Cusack, S., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., O'Leary, A., Simon, N.L., De Marsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria. 
Antimicrob.Agents Chemother., 57, pp. 1394 - , 2013.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 1 21 1

Cell Constants:

a = 89.37   b = 76.94   c = 90.71 (Ångstroms)

α = 90.0   β = 102.37   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC 5.6.0111 program. The R value is 0.20282 for 50171 reflections in the resolution range 88.74 to 2.31 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)