Berman et al. 10.1073/pnas.0408579102.

Fig. 8. Affinity grids for four cAMP-protein structures. The cAMP is shown in ball-and-stick representation, but the protein structure is not shown for clarity. Contours are drawn at a level of -0.4 kcal/mol for carbon atoms (Left in white) and oxygen/nitrogen atoms (Right in red). The hydrogen affinity is not included, because it showed no features at this contour level. The structures are RIIb (A) (a), RIIb (B) (b), CAP (c), and HCN (d).
Table 1. cAMP-containing crystal structures: CAP
|
PDB ID reference |
Macromolecule |
Resolution, Å |
cAMP per dimer |
cAMP conformation |
|
2CGP (1) |
WT CAP/DNA |
2.2 |
4 |
anti, syn (C terminal) |
|
1CGP (2) |
WT CAP/DNA |
3.0 |
2 |
anti |
|
1O3T (3) |
WT CAP/DNA |
2.8 |
2 |
anti |
|
1J59 (4) |
WT CAP/DNA |
2.5 |
2 |
anti |
|
1RUN (5) |
WT CAP/DNA |
2.7 |
2 |
anti |
|
1RUO (5) |
[Glu181Phe] CAP/DNA |
2.7 |
2 |
anti |
|
1O3Q (3) |
WT CAP/DNA |
3.0 |
4 |
anti, syn (C terminal) |
|
1O3R (3) |
WT CAP/DNA |
3.0 |
4 |
anti, syn (C terminal) |
|
1O3S (6) |
[Glu181Asp] CAP/DNA |
2.8 |
4 |
anti, syn (C terminal) |
|
1LB2 (7) |
WT CAP/a CTD/DNA |
3.1 |
2 |
anti |
|
1G6N (8) |
WT CAP |
2.1 |
2 |
anti |
|
1HW5 (9) |
Double mutant |
1.8 |
3 |
monomer 1 monomer 2 |
|
anti anti |
||||
|
syn (C terminal) |
||||
|
1I5Z |
Mutant |
1.9 |
3 |
monomer 1 monomer 2 |
|
anti anti |
||||
|
syn (C terminal) |
||||
|
1I6X |
Mutant |
2.2 |
3 |
monomer 1 monomer 2 |
|
anti anti |
||||
|
syn (C terminal) |
1. Passner, J. M. & Steitz, T. A. (1997) Proc. Natl. Acad. Sci. USA 94, 2843-2847.
2. Schultz, S. C., Shields, G. C. & Steitz, T. A. (1991) Science 253, 1001-1007.
3. Chen, S., Vojtechovsky, J., Parkinson, G. N., Ebright, R. H. & Berman, H. M. (2001) J. Mol. Biol. 314, 63-74.
4. Parkinson, G., Wilson, C., Gunasekera, A., Ebright, Y. W., Ebright, R. E. & Berman, H. M. (1996) J. Mol. Biol. 260, 395-408.
5. Parkinson, G., Gunasekera, A., Vojtechovsky, J., Zhang, X., Kunkel, T. A., Berman, H. M. & Ebright, R. H. (1996) Nat. Struct. Biol. 3, 837-841.
6. Chen, S., Gunasekera, A., Zhang, X., Ebright, R. H. & Berman, H. M. (2001) J. Mol. Biol. 314, 75-82.
7. Benoff, B., Yang, H., Lawson, C., Parkinson, G., Liu, J., Blatter, E., Ebright, Y. W., Berman, H. M. & Ebright, R. H. (2002) Science 297, 1562-1566.
8. Passner, J. M., Schultz, S. C. & Steitz, T. A. (2000) J. Mol. Biol. 304, 847-859.
9. Chu, S. Y., Tordova, M., Gilliland, G. L., Gorshkova, I., Shi, Y., Wang, S. & Schwarz, F. P. (2001) J. Biol. Chem. 276, 11230-11236.
Table 2. cAMP-containing crystal structures: PKA regulatory subunits
|
PDB ID |
Protein |
Resolution, Å |
cAMP per R subunit |
cAMP conformation |
|
1CX4 (1) |
RIIb PKA |
2.5 |
2 |
syn |
|
1NE6 (2) |
RIa PKA |
2.3 |
2 |
syn |
|
I91 deletion |
||||
|
1RGS (3) |
RIa PKA |
2.8 |
2 |
syn |
|
I91 deletion |
||||
|
1NE4 (2) |
R1a PKA |
2.4 |
2 |
syn |
|
I9q deletion |
1. Diller, T. C., Madhusudan, Xuong, N. H. & Taylor, S. S. (2001) Structure (Camb) 9, 73-82.
2. Wu, J., Jones, J. M., Nguyen-Huu, X., Ten Eyck, L. F. & Taylor, S. S. (2004) Biochemistry 43, 6620-6629.
3. Su, Y., Dostmann, W. R., Herberg, F. W., Durick, K., Xuong, N. H., Ten Eyck, L., Taylor, S. S. & Varughese, K. I. (1995) Science 269, 807-813.
Table 3. cAMP-containing crystal structures: HCN
|
PDB ID |
Protein |
Resolution, Å |
cAMP per tetramer |
cAMP conformation |
|
1Q43(1) |
Hen pacemaker channel |
2.0 |
4 |
anti |
|
1Q5O(1) |
Hen pacemaker channel |
2.3 |
4 |
anti |