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. 2011 Mar 16;50(18):3609–3620. doi: 10.1021/bi200067t

Table 1. Distances (in Å) between Cα Atoms for Residues Spanning the Ligand Binding Sites in L. casei DHFR and Its Complexes with TMP and NADPHa.

Res 1 Res 2 apo DHFR TMP NADPH ternary TMP-apo DHFR NADPH-apo DHFR ternary-apo DHFR
R44 Cα Q101 Cα 10.09 9.22 9.40 9.29 −0.87 −0.69 −0.80
R43 Cα Q65 Cα 9.86 9.49 8.79 9.56 −0.37 −1.07 −0.30
R43 Cα H64 Cα 9.32 8.39 7.62 8.60 −0.93 −1.70 −0.72
H77 Cα Q101 Cα 12.06 12.91 12.74 13.12 0.85 0.68 1.06
H64 Cα A105 Cα 12.59 10.05 12.73 13.40 −2.55 0.14 0.81
G14 Cα T45 Cα 11.58 11.87 10.54 9.59 0.29 −1.04 −1.99
A6 Cα T45 Cα 15.92 13.35 14.02 13.88 −2.57 −1.90 −2.04
I13 Cα A97 Cα 11.33 11.99 10.47 10.95 0.66 −0.86 −0.38
D26 Cα A97 Cα 13.57 13.55 11.95 13.03 −0.02 −1.61 −0.54
L4 Cα L27 Cα 11.82 11.17 11.27 11.18 −0.66 −0.56 −0.64
L27 Cα F49 Cα 13.42 11.01 12.26 11.21 −2.41 −1.16 −2.21
a

Distances are the average values from all 25 structures in the apo DHFR family.