Figure 6.
Figure 6. Modeling dioxygen binding to the distal site of Ngb.
a: The original His64(E7) position ( [1]
= 178.1°) overlaps with the first atom of the diatomic
ligand (0.28 Å). b: His64(E7) swings towards the interior;
at [1]
= -72.5°, there are no close contacts of the imidazole side
chain with other amino acids or with the bound ligand. c:
His64(E7) swings towards the exterior; at [1]
= 114.5°, there is a steric clash with O2A of the heme
propionate (distance 0.63 Å) and close contact with
Tyr44(CD3)-OH (2.14 Å) and Wat3 (1.95 Å).
The above figure is reprinted
by permission from John Wiley & Sons, Inc.:
Proteins
(2004,
56,
85-92)
copyright 2004.
[1]
= 178.1°) overlaps with the first atom of the diatomic
ligand (0.28 Å). b: His64(E7) swings towards the interior;
at