Skip to main content
. Author manuscript; available in PMC: 2008 Jun 23.
Published in final edited form as: J Am Chem Soc. 2003 Nov 12;125(45):13804–13818. doi: 10.1021/ja035654x

Table 1.

Coordinates for Heme Pocket Atoms for the Rε and Bε Configurations

distance (Å)
variance (Å)2
Rε state Bε state Rε state Bε state
R(Nδ–O) (His64) 5.69 4.46 0.205 0.142
R(HNε–O) (His64) 3.07 4.63 0.300 0.618
R(C–O) 1.13 1.13 0.000 0.000
R(Fe–C) 1.90 1.90 0.001 0.001
R(Fe–Na) (Heme) 1.97 1.97 0.001 0.001
R(Fe–Nb) 1.97 1.97 0.001 0.001
R(Fe–Nc) 1.97 1.97 0.001 0.001
R(Fe–Nd) 1.97 1.97 0.001 0.001
R(Fe–Nε) (His93) 2.21 2.21 0.004 0.004
angle
(deg)		 angle
(deg)		 Rε state
((deg)2)		 Bε state
((deg)2)
(Fe–C–O) 173.38 173.33 11.97 12.20