Figure 2.
FIGURE 2. Conformation of the loop and positions of
the Ca^2^+ and Mg^2^+ ions in the FVIIa Gla domain. A,
superpositioning of the Gla domain in the presence of
Ca^2+/Mg^2+ versus Ca^2+ (19). The C atoms used for
superpositioning were residues 13L-46L. The Ca^2+/Mg^2+
structure is in blue and the Ca^2+ structure is in magenta.
Phe^4, Leu^5, Gla6, Gla7, and Leu^8 are depicted for both
structures. Ca^2+ (blue) and Mg^2+ (cyan) ions for the present
structure as well as Ca^2+ ions (magenta) for the PDB code 1DAN
(19) are shown as spheres. N represents the N terminus of the
Gla domain of FVIIa. B, coordination of the Ca^2+ and Mg^2+ ions
in the Gla domain of the Ca^2+/Mg^2+ structure. Electron density
(2F[obs] - F[calc]) contoured at 1 of all nine Gla
residues as well as that of Ca^2+ (magenta spheres), Mg^2+ (cyan
spheres), and coordinating water molecules (red spheres)is
shown. Coordination of Ca5 to O of Ala^1L and H-bonds between
Gla6 and the NH[2] side chain of Arg^9L, Gla7, and NofPhe^4L,
and a water molecule with O [1] of Gln^2L are
indicated with dashed arrows. Black dashed lines depict all
other coordinations and H-bonds. A stereo figure is given in the
supplemental material as Fig. 1S.
The above figure is reprinted
by permission from the ASBMB:
J Biol Chem
(2006,
281,
24873-24888)
copyright 2006.
loop and positions of
the Ca^2^+ and Mg^2^+ ions in the FVIIa Gla domain. A,
superpositioning of the Gla domain in the presence of
Ca^2+/Mg^2+ versus Ca^2+ (19). The C 
atoms used for
superpositioning were residues 13L-46L. The Ca^2+/Mg^2+
structure is in blue and the Ca^2+ structure is in magenta.
Phe^4, Leu^5, Gla6, Gla7, and Leu^8 are depicted for both
structures. Ca^2+ (blue) and Mg^2+ (cyan) ions for the present
structure as well as Ca^2+ ions (magenta) for the PDB code 1DAN
(19) are shown as spheres. N represents the N terminus of the
Gla domain of FVIIa. B, coordination of the Ca^2+ and Mg^2+ ions
in the Gla domain of the Ca^2+/Mg^2+ structure. Electron density
(2F[obs] - F[calc]) contoured at 1 
of all nine Gla
residues as well as that of Ca^2+ (magenta spheres), Mg^2+ (cyan
spheres), and coordinating water molecules (red spheres)is
shown. Coordination of Ca5 to O of Ala^1L and H-bonds between
Gla6 and the NH[2] side chain of Arg^9L, Gla7, and NofPhe^4L,
and a water molecule with O 
[1] of Gln^2L are
indicated with dashed arrows. Black dashed lines depict all
other coordinations and H-bonds. A stereo figure is given in the
supplemental material as Fig. 1S.