Skip to main content

Table 1 Reversed movement of the lid

From: Modeling of solvent-dependent conformational transitions in Burkholderia cepacia lipase

Conformation of BCL in toluene after [ns]

6.7

10

13.3

16.7

20

23.3

26.7

30

Distance C α 138-C α 250 before simulation [Å]

12.5

17.9

17.7

20.3

19.2

21.9

21.8

22.3

Distance C α 138-C α 250 after simulation [Å]

8.9

13.6

12.5

6.4

17.0

14.8

15.2

15.4

Δ distance C α 138-C α 250 [Å]

3.6

4.3

5.2

13.9

2.2

7.1

6.6

8.8

  1. The lid opening of BCL was reversed in simulations of 6 ns after changing the solvent from toluene to water, measured by distance Cα 138-Cα 250. The used starting conformations were selected from simulation of closed BCL in toluene after different times. The distance Cα 138-Cα 250 in the closed homology model was 6.1 Å.
Back to article page

BMC Structural Biology

ISSN: 1472-6807

Contact us