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