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. Author manuscript; available in PMC: 2011 Sep 10.
Published in final edited form as: J Mol Biol. 2010 Jul 17;402(1):278–291. doi: 10.1016/j.jmb.2010.07.025

Table 1.

Average distances in the C41 base triple and active sitea

Heteroatoms Wild-type (Å) Double-mutant (Å) Crystal (Å)
C41+ C41° C41+ C41°
C41 Base Triple
 C41(O2) – A43(N6) 3.24 (0.52) 8.11 (1.03) 2.97 (0.27) 3.06 (0.25) 2.83
 C41(N3) – G73(O6) 2.84 (0.11) 10.35 (1.02) 4.55 (0.48) 3.03 (0.16) 2.88
 C41(N4) – G73(N7) 2.94 (0.12) 11.65 (1.27) 6.01 (0.51) 3.06 (0.22) 3.03
Active Site
 C75(N4) – C22(O2P) 2.96 (0.42) 6.27 (0.56) 2.85 (0.12) 2.95 (0.38) 2.83
 C75(N4) – U20(O2′) 3.88 (0.50) 4.41 (0.43) 4.96 (0.21) 4.25 (0.72) 2.95
 C75(N3) – G1(O5′) 3.65 (0.50) 4.67 (0.42) 2.92 (0.23) 3.27 (0.62) 2.83
a

Distances provided are between heavy atoms averaged over the 20 ns MD trajectory.

b

Numbers in parenthesis are standard deviations of the averaged distances.