HEADER TRANSCRIPTION/DNA 10-DEC-97 XXXX TITLE RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) COMPND RADR (ZIF268 VARIANT)/DNA COMPLEX KEYWDS COMPLEX (ZINC FINGER/DNA), ZINC FINGER, DNA-BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.ELROD-ERICKSON, T.E.BENSON, C.O.PABO JRNL AUTH M.ELROD-ERICKSON, T.E.BENSON, C.O.PABO JRNL TITL HIGH-RESOLUTION STRUCTURES OF VARIANT ZIF268-DNA JRNL TITL 2 COMPLEXES: IMPLICATIONS FOR UNDERSTANDING ZINC JRNL TITL 3 FINGER-DNA RECOGNITION. JRNL REF STRUCTURE V. 6 451 1998 JRNL REFN ASTM STRUE6 UK ISSN 0969-2126 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.ELROD-ERICKSON, M.A.ROULD, L.NEKLUDOVA, C.O.PABO REMARK 1 TITL ZIF268 PROTEIN-DNA COMPLEX REFINED AT 1.6 A: A REMARK 1 TITL 2 MODEL SYSTEM FOR UNDERSTANDING ZINC FINGER-DNA REMARK 1 TITL 3 INTERACTIONS REMARK 1 REF STRUCTURE (LONDON) V. 4 1171 1996 REMARK 1 REFN ASTM STRUE6 UK ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH E.J.REBAR, C.O.PABO REMARK 1 TITL ZINC FINGER PHAGE: AFFINITY SELECTION OF FINGERS REMARK 1 TITL 2 WITH NEW DNA-BINDING SPECIFICITIES REMARK 1 REF SCIENCE V. 263 671 1994 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 REMARK 1 REFERENCE 3 REMARK 1 AUTH N.P.PAVLETICH, C.O.PABO REMARK 1 TITL ZINC FINGER-DNA RECOGNITION: CRYSTAL STRUCTURE OF REMARK 1 TITL 2 A ZIF268-DNA COMPLEX AT 2.1 A REMARK 1 REF SCIENCE V. 252 809 1991 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 SEQRES 1 B 11 DA DG DC DG DT DG DG DG DA DC DC SEQRES 1 C 11 DT DG DG DT DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ALA ASP LEU THR ARG HIS ILE SEQRES 3 A 90 ARG ILE HIS THR GLY GLN LYS PRO PHE GLN CYS ARG ILE SEQRES 4 A 90 CYS MET ARG ASN PHE SER ARG SER ASP HIS LEU THR THR SEQRES 5 A 90 HIS ILE ARG THR HIS THR GLY GLU LYS PRO PHE ALA CYS SEQRES 6 A 90 ASP ILE CYS GLY ARG LYS PHE ALA ARG SER ASP GLU ARG SEQRES 7 A 90 LYS ARG HIS THR LYS ILE HIS LEU ARG GLN LYS ASP HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *121(H2 O) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 SHEET 1 A 2 TYR A 105 ALA A 106 0 SHEET 2 A 2 ARG A 115 PHE A 116 -1 N PHE A 116 O TYR A 105 SHEET 1 B 2 PHE A 135 GLN A 136 0 SHEET 2 B 2 ASN A 143 PHE A 144 -1 N PHE A 144 O PHE A 135 SHEET 1 C 2 PHE A 163 ALA A 164 0 SHEET 2 C 2 LYS A 171 PHE A 172 -1 O PHE A 172 N PHE A 163 LINK ZN ZN A 201 SG CYS A 107 LINK ZN ZN A 201 SG CYS A 112 LINK ZN ZN A 201 NE2 HIS A 125 LINK ZN ZN A 201 NE2 HIS A 129 LINK ZN ZN A 202 SG CYS A 137 LINK ZN ZN A 202 SG CYS A 140 LINK ZN ZN A 202 NE2 HIS A 153 LINK ZN ZN A 202 NE2 HIS A 157 LINK ZN ZN A 203 SG CYS A 165 LINK ZN ZN A 203 SG CYS A 168 LINK ZN ZN A 203 NE2 HIS A 181 LINK ZN ZN A 203 NE2 HIS A 185 CRYST1 42.700 55.500 130.400 90.00 90.00 90.00 C 2 2 21 8 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 0.023419 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018018 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007669 0.00000 HETATM 1 ZN ZN A 203 6.755 25.526 31.868 1.00 21.84 ZN HETATM 2 O HOH 301 7.686 15.491 25.931 1.00 37.96 O HETATM 3 O HOH 302 5.410 14.471 27.113 1.00 36.81 O HETATM 4 O HOH 303 4.139 14.843 29.752 1.00 28.39 O HETATM 5 O HOH 304 3.536 11.378 31.669 1.00 49.79 O HETATM 6 O HOH 305 8.562 13.661 29.577 1.00 37.97 O HETATM 7 O HOH 306 12.522 11.013 30.585 1.00 39.14 O HETATM 8 O HOH 307 16.150 8.518 31.245 1.00 25.94 O HETATM 9 O HOH 308 16.491 13.642 33.026 1.00 34.04 O HETATM 10 O HOH 309 14.795 16.604 30.571 1.00 43.51 O HETATM 11 O HOH 310 12.937 19.219 30.183 1.00 15.23 O HETATM 12 O HOH 311 14.170 21.685 30.498 1.00 46.91 O HETATM 13 O HOH 312 13.758 19.226 33.019 1.00 54.03 O HETATM 14 O HOH 313 11.791 16.467 38.265 1.00 14.11 O HETATM 15 O HOH 314 11.894 14.393 42.022 1.00 18.68 O HETATM 16 O HOH 315 10.877 12.009 42.594 1.00 26.08 O HETATM 17 O HOH 316 9.713 11.279 45.074 1.00 16.25 O HETATM 18 O HOH 317 10.072 8.768 47.849 1.00 21.48 O HETATM 19 O HOH 318 9.183 8.353 50.729 1.00 20.47 O HETATM 20 O HOH 319 7.546 6.060 51.239 1.00 14.00 O HETATM 21 O HOH 320 9.567 6.088 53.728 1.00 33.39 O HETATM 22 O HOH 321 8.369 6.791 56.005 1.00 28.24 O HETATM 23 O HOH 322 10.774 8.039 57.091 1.00 44.09 O HETATM 24 O HOH 323 8.858 10.424 58.810 1.00 38.81 O HETATM 25 O HOH 324 6.189 9.117 58.847 1.00 40.46 O HETATM 26 O HOH 325 7.756 6.443 60.075 1.00 54.02 O HETATM 27 O HOH 326 6.957 3.443 57.876 1.00 43.87 O HETATM 28 O HOH 327 4.905 5.215 57.369 1.00 42.86 O HETATM 29 O HOH 328 2.985 4.867 55.583 1.00 33.02 O HETATM 30 O HOH 329 1.930 7.080 53.947 1.00 24.64 O HETATM 31 O HOH 330 -3.122 7.009 55.613 1.00 30.96 O HETATM 32 O HOH 331 -3.724 0.793 53.718 1.00 45.63 O HETATM 33 O HOH 332 -5.661 -0.713 51.473 1.00 47.85 O HETATM 34 O HOH 333 -7.826 0.445 50.210 1.00 34.03 O HETATM 35 O HOH 334 -10.366 -1.542 50.592 1.00 42.13 O HETATM 36 O HOH 335 -11.611 1.786 47.450 1.00 37.70 O HETATM 37 O HOH 336 -12.913 1.996 41.956 1.00 34.06 O HETATM 38 O HOH 337 -13.776 -0.546 41.714 1.00 33.42 O HETATM 39 O HOH 338 -12.644 -2.606 40.119 1.00 27.77 O HETATM 40 O HOH 339 -11.168 -2.716 37.982 1.00 19.39 O HETATM 41 O HOH 340 -9.122 0.983 35.801 1.00 37.22 O HETATM 42 O HOH 341 -5.908 1.056 34.997 1.00 55.19 O HETATM 43 O HOH 342 -2.862 -0.730 40.838 1.00 37.58 O HETATM 44 O HOH 343 -2.933 -3.791 41.759 1.00 34.48 O HETATM 45 O HOH 344 1.718 -1.162 46.816 1.00 33.51 O HETATM 46 O HOH 345 2.792 0.870 49.376 1.00 25.29 O HETATM 47 O HOH 346 0.476 2.236 50.207 1.00 31.06 O HETATM 48 O HOH 347 -4.197 1.344 49.718 1.00 43.47 O HETATM 49 O HOH 348 2.769 1.859 43.400 1.00 27.17 O HETATM 50 O HOH 349 4.147 3.396 41.539 1.00 24.23 O HETATM 51 O HOH 350 5.532 -0.783 41.836 1.00 46.40 O HETATM 52 O HOH 351 7.306 0.731 43.695 1.00 37.40 O HETATM 53 O HOH 352 7.633 -1.727 45.060 1.00 38.86 O HETATM 54 O HOH 353 5.247 -3.054 45.598 1.00 37.80 O HETATM 55 O HOH 354 8.986 1.297 40.680 1.00 41.50 O HETATM 56 O HOH 355 10.610 4.695 38.620 1.00 30.83 O HETATM 57 O HOH 356 8.598 5.086 36.264 1.00 30.13 O HETATM 58 O HOH 357 12.693 5.388 36.284 1.00 30.21 O HETATM 59 O HOH 358 14.376 12.264 37.209 1.00 27.31 O HETATM 60 O HOH 359 18.207 12.557 38.375 1.00 67.11 O HETATM 61 O HOH 360 18.480 10.096 44.525 1.00 37.11 O HETATM 62 O HOH 361 16.596 11.376 47.316 1.00 20.76 O HETATM 63 O HOH 362 17.613 9.440 49.115 1.00 35.94 O HETATM 64 O HOH 363 19.260 7.569 47.658 1.00 35.99 O HETATM 65 O HOH 364 20.555 3.049 51.473 1.00 35.96 O HETATM 66 O HOH 365 19.406 -0.671 53.237 1.00 27.89 O HETATM 67 O HOH 366 17.044 3.675 54.239 1.00 41.56 O HETATM 68 O HOH 367 13.037 6.551 52.873 1.00 26.87 O HETATM 69 O HOH 368 15.049 12.091 54.042 1.00 30.44 O HETATM 70 O HOH 369 12.742 12.083 55.810 1.00 34.86 O HETATM 71 O HOH 370 10.148 14.552 53.558 1.00 44.10 O HETATM 72 O HOH 371 7.490 14.006 55.374 1.00 41.69 O HETATM 73 O HOH 372 3.700 16.159 54.350 1.00 53.26 O HETATM 74 O HOH 373 0.185 16.825 52.728 1.00 25.32 O HETATM 75 O HOH 374 -3.561 15.909 50.079 1.00 32.61 O HETATM 76 O HOH 375 -6.208 16.549 48.911 1.00 51.95 O HETATM 77 O HOH 376 -7.546 12.034 47.221 1.00 28.97 O HETATM 78 O HOH 377 -11.412 13.764 49.489 1.00 34.12 O HETATM 79 O HOH 378 -0.835 17.547 42.903 1.00 25.08 O HETATM 80 O HOH 379 -0.104 16.174 40.766 1.00 30.87 O HETATM 81 O HOH 380 -2.345 16.459 38.878 1.00 34.75 O HETATM 82 O HOH 381 0.644 18.848 44.750 1.00 35.16 O HETATM 83 O HOH 382 -1.064 20.978 45.530 1.00 22.15 O HETATM 84 O HOH 383 2.442 20.752 43.387 1.00 23.15 O HETATM 85 O HOH 384 1.715 23.420 43.251 1.00 25.04 O HETATM 86 O HOH 385 4.705 20.645 45.663 1.00 23.94 O HETATM 87 O HOH 386 6.526 19.297 44.067 1.00 17.85 O HETATM 88 O HOH 387 6.401 22.393 47.391 1.00 24.62 O HETATM 89 O HOH 388 7.787 24.892 50.366 1.00 30.49 O HETATM 90 O HOH 389 8.224 22.334 40.237 1.00 19.46 O HETATM 91 O HOH 390 10.623 21.061 40.644 1.00 25.49 O HETATM 92 O HOH 391 11.532 26.441 34.060 1.00 27.14 O HETATM 93 O HOH 392 11.102 26.254 31.156 1.00 41.00 O HETATM 94 O HOH 393 10.122 29.392 30.925 1.00 35.18 O HETATM 95 O HOH 394 8.835 28.178 26.774 1.00 40.08 O HETATM 96 O HOH 395 6.533 27.914 24.914 1.00 39.60 O HETATM 97 O HOH 396 6.931 32.058 31.496 1.00 22.67 O HETATM 98 O HOH 397 6.257 33.979 33.196 1.00 29.65 O HETATM 99 O HOH 398 5.194 34.199 37.840 1.00 39.94 O HETATM 100 O HOH 399 3.163 32.531 39.184 1.00 28.38 O HETATM 101 O HOH 400 1.198 33.992 40.749 1.00 42.11 O HETATM 102 O HOH 401 0.668 35.780 38.703 1.00 41.17 O HETATM 103 O HOH 402 1.470 35.028 31.536 1.00 25.14 O HETATM 104 O HOH 403 1.546 21.942 32.158 1.00 24.16 O HETATM 105 O HOH 404 3.044 19.281 28.182 1.00 23.98 O HETATM 106 O HOH 405 4.949 19.623 26.305 1.00 30.85 O HETATM 107 O HOH 406 8.976 18.497 26.459 1.00 35.67 O HETATM 108 O HOH 407 4.115 11.955 39.680 1.00 20.85 O HETATM 109 O HOH 408 4.323 9.195 39.024 1.00 23.42 O HETATM 110 O HOH 409 2.526 8.548 42.003 1.00 21.88 O HETATM 111 O HOH 410 2.630 8.866 44.835 1.00 29.35 O HETATM 112 O HOH 411 5.562 9.420 45.017 1.00 19.18 O HETATM 113 O HOH 412 5.345 12.103 45.304 1.00 29.40 O HETATM 114 O HOH 413 3.266 13.303 43.764 1.00 26.07 O HETATM 115 O HOH 414 -10.880 7.474 37.966 1.00 33.51 O HETATM 116 O HOH 415 -13.618 -1.276 56.369 1.00 47.22 O HETATM 117 O HOH 416 -7.090 -1.094 59.387 1.00 40.82 O HETATM 118 O HOH 417 3.550 -2.233 59.730 1.00 33.89 O HETATM 119 O HOH 418 12.724 -2.617 52.374 1.00 33.17 O HETATM 120 O HOH 419 12.423 -4.746 50.459 1.00 40.01 O HETATM 121 O HOH 420 16.925 -6.580 43.198 1.00 34.09 O HETATM 122 O HOH 421 20.663 -3.306 42.177 1.00 28.77 O MASTER 20 0 0 3 6 0 0 6 1277 3 0 9 END