HEADER DEOXYRIBONUCLEIC ACID 18-AUG-88 JRNL AUTH W.B.T.Cruse, E.Egert, O.Kennard, G.B.Sala, JRNL AUTH 2 S.A.Salisbury, M.A.Viswamitra JRNL TITL Self Base Pairing in a Complementary JRNL TITL 2 Deoxy-dinucleoside Monophosphate Duplex: Crystal JRNL TITL 3 and Molecular Structure of JRNL TITL 4 Deoxycytidylyl-(3'-5')-Deoxyguanosine JRNL REF Biochemistry V. 22 1833 1983 JRNL REFN ASTM BICHAW US ISSN 0006-2960 0033 SEQRES 1 A 2 C G CRYST1 11.078 11.078 45.826 90.00 90.00 90.00 P 43 21 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.090269 0.000000 0.000000 0.00000 SCALE2 0.000000 0.090269 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021822 0.00000 ATOM 1 O5* C A 1 5.085 6.758 35.576 1.00 10.00 O ATOM 2 C5* C A 1 5.645 5.919 36.561 1.00 10.00 C ATOM 3 C4* C A 1 6.635 6.674 37.445 1.00 10.00 C ATOM 4 O4* C A 1 7.799 7.012 36.662 1.00 10.00 O ATOM 5 C3* C A 1 6.078 7.966 38.005 1.00 10.00 C ATOM 6 O3* C A 1 6.626 8.150 39.329 1.00 10.00 O ATOM 7 C2* C A 1 6.645 8.999 37.070 1.00 10.00 C ATOM 8 C1* C A 1 7.995 8.402 36.735 1.00 10.00 C ATOM 9 N1 C A 1 8.521 8.856 35.452 1.00 10.00 N ATOM 10 C2 C A 1 9.559 9.710 35.434 1.00 10.00 C ATOM 11 O2 C A 1 10.177 10.040 36.456 1.00 10.00 O ATOM 12 N3 C A 1 9.957 10.253 34.219 1.00 10.00 N ATOM 13 C4 C A 1 9.288 9.966 33.096 1.00 10.00 C ATOM 14 N4 C A 1 9.709 10.530 31.982 1.00 10.00 N ATOM 15 C5 C A 1 8.189 9.091 33.137 1.00 10.00 C ATOM 16 C6 C A 1 7.847 8.567 34.302 1.00 10.00 C ATOM 17 P G A 2 5.862 9.045 40.401 1.00 10.00 P ATOM 18 O1P G A 2 4.436 8.676 40.429 1.00 10.00 O ATOM 19 O2P G A 2 6.638 8.936 41.652 1.00 10.00 O ATOM 20 O5* G A 2 5.902 10.551 39.851 1.00 10.00 O ATOM 21 C5* G A 2 7.138 11.304 39.948 1.00 10.00 C ATOM 22 C4* G A 2 7.001 12.638 39.260 1.00 10.00 C ATOM 23 O4* G A 2 6.831 12.397 37.835 1.00 10.00 O ATOM 24 C3* G A 2 5.809 13.491 39.700 1.00 10.00 C ATOM 25 O3* G A 2 6.261 14.829 39.650 1.00 10.00 O ATOM 26 C2* G A 2 4.778 13.209 38.614 1.00 10.00 C ATOM 27 C1* G A 2 5.640 13.052 37.390 1.00 10.00 C ATOM 28 N9 G A 2 5.086 12.286 36.295 1.00 10.00 N ATOM 29 C8 G A 2 4.129 11.307 36.295 1.00 10.00 C ATOM 30 N7 G A 2 3.917 10.748 35.140 1.00 10.00 N ATOM 31 C5 G A 2 4.832 11.360 34.302 1.00 10.00 C ATOM 32 C6 G A 2 5.126 11.158 32.931 1.00 10.00 C ATOM 33 O6 G A 2 4.618 10.342 32.152 1.00 10.00 O ATOM 34 N1 G A 2 6.153 11.940 32.509 1.00 10.00 N ATOM 35 C2 G A 2 6.792 12.895 33.261 1.00 10.00 C ATOM 36 N2 G A 2 7.740 13.590 32.656 1.00 10.00 N ATOM 37 N3 G A 2 6.536 13.105 34.540 1.00 10.00 N ATOM 38 C4 G A 2 5.543 12.308 34.998 1.00 10.00 C TER 39 G A 2 ATOM 40 O5* C B 1 15.398 17.071 33.163 1.00 10.00 O ATOM 41 C5* C B 1 16.237 16.511 32.178 1.00 10.00 C ATOM 42 C4* C B 1 15.482 15.521 31.294 1.00 10.00 C ATOM 43 O4* C B 1 15.144 14.357 32.077 1.00 10.00 O ATOM 44 C3* C B 1 14.190 16.078 30.734 1.00 10.00 C ATOM 45 O3* C B 1 14.006 15.530 29.410 1.00 10.00 O ATOM 46 C2* C B 1 13.157 15.511 31.669 1.00 10.00 C ATOM 47 C1* C B 1 13.754 14.161 32.004 1.00 10.00 C ATOM 48 N1 C B 1 13.300 13.635 33.287 1.00 10.00 N ATOM 49 C2 C B 1 12.446 12.597 33.305 1.00 10.00 C ATOM 50 O2 C B 1 12.116 11.979 32.283 1.00 10.00 O ATOM 51 N3 C B 1 11.903 12.199 34.520 1.00 10.00 N ATOM 52 C4 C B 1 12.190 12.868 35.643 1.00 10.00 C ATOM 53 N4 C B 1 11.626 12.447 36.757 1.00 10.00 N ATOM 54 C5 C B 1 13.065 13.967 35.602 1.00 10.00 C ATOM 55 C6 C B 1 13.589 14.309 34.437 1.00 10.00 C ATOM 56 P G B 2 13.111 16.294 28.338 1.00 10.00 P ATOM 57 O1P G B 2 13.480 17.720 28.310 1.00 10.00 O ATOM 58 O2P G B 2 13.220 15.518 27.087 1.00 10.00 O ATOM 59 O5* G B 2 11.605 16.254 28.888 1.00 10.00 O ATOM 60 C5* G B 2 10.852 15.018 28.791 1.00 10.00 C ATOM 61 C4* G B 2 9.518 15.155 29.479 1.00 10.00 C ATOM 62 O4* G B 2 9.759 15.325 30.904 1.00 10.00 O ATOM 63 C3* G B 2 8.665 16.347 29.039 1.00 10.00 C ATOM 64 O3* G B 2 7.327 15.895 29.089 1.00 10.00 O ATOM 65 C2* G B 2 8.947 17.378 30.125 1.00 10.00 C ATOM 66 C1* G B 2 9.104 16.516 31.349 1.00 10.00 C ATOM 67 N9 G B 2 9.870 17.070 32.444 1.00 10.00 N ATOM 68 C8 G B 2 10.849 18.027 32.444 1.00 10.00 C ATOM 69 N7 G B 2 11.408 18.239 33.599 1.00 10.00 N ATOM 70 C5 G B 2 10.796 17.324 34.437 1.00 10.00 C ATOM 71 C6 G B 2 10.998 17.030 35.808 1.00 10.00 C ATOM 72 O6 G B 2 11.814 17.538 36.587 1.00 10.00 O ATOM 73 N1 G B 2 10.216 16.003 36.230 1.00 10.00 N ATOM 74 C2 G B 2 9.261 15.364 35.478 1.00 10.00 C ATOM 75 N2 G B 2 8.566 14.416 36.083 1.00 10.00 N ATOM 76 N3 G B 2 9.051 15.620 34.199 1.00 10.00 N ATOM 77 C4 G B 2 9.848 16.613 33.741 1.00 10.00 C TER 78 G B 2 HETATM 79 N NH4 A 3 2.703 8.156 35.860 1.00 10.00 N HETATM 80 N NH4 B 3 14.000 19.453 32.879 1.00 10.00 N HETATM 81 O HOH A 4 3.019 10.548 41.946 1.00 10.00 O HETATM 82 O HOH A 5 4.178 5.813 40.222 1.00 10.00 O HETATM 83 O HOH A 6 2.458 9.341 38.371 1.00 10.00 O HETATM 84 O HOH B 4 11.608 19.137 26.793 1.00 10.00 O HETATM 85 O HOH B 5 16.343 17.978 28.517 1.00 10.00 O HETATM 86 O HOH B 6 12.815 19.698 30.368 1.00 10.00 O END