Applying internal coordinate mechanics to model the interactions between 8R-lipoxygenase and its substrate

BMC Bioinformatics

Table 1 Residues of the ICM-identified docking site for psWT and residues of the manually defined docking site for psWT and I805W:psWT 8R-LOX

No.	psWT (Manually defined)	I805W:psWT (Manually defined)	psWT (ICM-identified)
1	R555	R555	Q753
2	L758	L758	L754
3	L763	L763	H757
4	E766	E766	L758
5	I796	I796	H762
6	I799	I799	I796
7	G800	G800	D797
8	R801	R801	G800
9	L804	L804	L804
10	*I805*	*W805*	I810
11	I999	I999	V811
12	L1000	L1000	L815
13	I1066	I1066	T996
14			L1000
15			I1066

There are 13 residues for both manually defined docking sites in psWT and I805W:psWT 8R-LOX. The mutation residue is bolded and italicized. In psWT 8R-LOX, the 10^th residue is I805 while the mutant has W805. There are 15 residues for the ICM-identified docking site in psWT. The 6 common residues for the ICM-identified docking site and the manually defined docking site are underlined.

ISSN: 1471-2105