Figure 9 - source data 1. Chemical shift data of CID/NCBD complexes used in the molecular dynamics simulations. A) D/P NCBD (labeled) in complex with 1R CID —————————- #NUM AA HA CA CB CO N HN 1 G 0.0000 43.3859 0.0000 0.0000 0.0000 0.0000 2 S 0.0000 58.3317 64.1693 0.0000 115.9306 8.7133 3 T 0.0000 60.3444 69.4967 0.0000 118.6541 8.4106 4 P 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5 P 0.0000 64.2703 31.6091 0.0000 0.0000 0.0000 6 Q 0.0000 58.2668 28.4939 0.0000 120.1023 8.3844 7 A 0.0000 55.0474 18.5778 0.0000 122.7830 8.2884 8 L 0.0000 58.0605 41.5213 0.0000 117.8480 7.8368 9 Q 0.0000 59.4041 28.0252 0.0000 117.6920 7.9150 10 Q 0.0000 58.8797 28.1958 0.0000 118.9386 8.1477 11 L 0.0000 58.6135 41.4318 0.0000 123.4226 8.5467 12 L 0.0000 58.5571 41.3344 0.0000 118.9998 8.3793 13 Q 0.0000 58.8297 28.4067 0.0000 116.0266 7.9554 14 T 0.0000 66.8718 68.6571 0.0000 116.8099 8.1455 15 L 0.0000 57.1216 42.5211 0.0000 121.6530 8.3671 16 K 0.0000 57.1122 32.6891 0.0000 117.4200 7.4357 17 S 0.0000 57.9390 62.9010 0.0000 117.2966 7.3851 18 P 0.0000 0.0000 32.0739 0.0000 0.0000 0.0000 19 S 0.0000 59.2064 63.5648 0.0000 116.8563 8.3769 20 S 0.0000 57.3329 63.2645 0.0000 119.3575 7.7666 21 P 0.0000 65.6208 31.7623 0.0000 0.0000 0.0000 22 Q 0.0000 59.2046 27.9124 0.0000 116.8038 8.1863 23 Q 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24 Q 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25 Q 0.0000 59.4371 27.8643 0.0000 124.1140 8.0582 26 Q 0.0000 58.6329 28.1059 0.0000 117.1612 7.8576 27 V 0.0000 67.5539 31.3877 0.0000 119.6038 8.1644 28 L 0.0000 0.0000 41.5749 0.0000 117.7686 7.8573 29 Q 0.0000 59.0194 28.2425 0.0000 117.7658 8.1251 30 I 0.0000 65.4071 38.3135 0.0000 120.9561 8.0163 31 L 0.0000 58.6137 41.2900 0.0000 119.1997 8.1723 32 K 0.0000 59.1865 32.3046 0.0000 115.7362 8.4443 33 S 0.0000 59.4024 64.4482 0.0000 111.4715 7.5687 34 N 0.0000 51.5940 41.2275 0.0000 118.4109 7.2918 35 P 0.0000 65.6786 32.3569 0.0000 0.0000 0.0000 36 Q 0.0000 59.1830 27.9719 0.0000 118.5201 8.9511 37 L 0.0000 57.0782 41.2275 0.0000 121.2123 7.8505 38 M 0.0000 59.5241 31.6799 0.0000 119.0948 8.2313 39 A 0.0000 55.2584 17.9039 0.0000 119.1800 8.0332 40 A 0.0000 55.1171 18.2630 0.0000 120.9383 7.6035 41 F 0.0000 62.2234 40.3121 0.0000 120.3694 8.5951 42 I 0.0000 65.6677 38.1572 0.0000 118.5030 8.5966 43 K 0.0000 59.6516 32.1812 0.0000 120.9422 7.9572 44 Q 0.0000 59.3637 27.2309 0.0000 119.4028 7.8959 45 R 0.0000 56.1923 28.3670 0.0000 116.4607 8.0579 46 S 0.0000 60.2507 63.5704 0.0000 113.5780 8.0073 47 Q 0.0000 56.2575 29.0080 0.0000 119.5983 7.5737 48 H 0.0000 55.4137 28.9389 0.0000 118.1765 8.0412 49 Q 0.0000 55.8670 29.5823 0.0000 121.4306 8.2050 50 Q 0.0000 57.3984 30.2826 0.0000 126.4042 8.0754 B)1R/2R NCBD (labeled) in complex with 1R CID ———————- #NUM AA HA CA CB CO N HN 2 S 0.0000 62.4353 64.3265 0.0000 0.0000 0.0000 3 I 0.0000 58.9331 39.4847 0.0000 124.3235 8.5234 4 P 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5 P 0.0000 64.9172 31.8237 0.0000 0.0000 0.0000 6 N 0.0000 55.4624 37.7386 0.0000 115.9646 8.6382 7 A 0.0000 55.0858 18.6484 0.0000 123.0445 7.6626 8 L 0.0000 0.0000 41.7053 0.0000 117.9515 7.5690 9 Q 0.0000 59.2400 28.0983 0.0000 117.5618 8.2594 10 D 0.0000 57.3555 40.1478 0.0000 120.4694 8.2904 11 L 0.0000 0.0000 0.0000 0.0000 123.8593 8.5166 12 L 0.0000 58.7147 41.4402 0.0000 119.0831 8.4213 13 R 0.0000 59.3305 30.1628 0.0000 116.9657 8.0611 14 T 0.0000 66.8808 68.5354 0.0000 116.2146 8.0911 15 L 0.0000 57.4885 42.7018 0.0000 122.5623 8.6097 16 R 0.0000 56.9677 30.5278 0.0000 116.1814 7.4829 17 S 0.0000 59.2799 63.3952 0.0000 117.0484 8.3891 18 P 0.0000 0.0000 30.7358 0.0000 0.0000 0.0000 19 S 0.0000 57.8885 62.9013 0.0000 117.9551 7.4581 20 S 0.0000 57.3236 63.2885 0.0000 119.8263 7.8796 21 P 0.0000 65.8062 31.6291 0.0000 0.0000 0.0000 22 Q 0.0000 59.2638 28.0571 0.0000 116.7776 8.2079 23 Q 0.0000 55.8068 28.4427 0.0000 117.0136 7.9868 24 Q 0.0000 59.3613 27.3613 0.0000 124.6352 8.0744 25 Q 0.0000 58.6047 28.2605 0.0000 117.1991 7.8674 26 Q 0.0000 59.0966 28.1529 0.0000 119.7414 7.9779 27 V 0.0000 67.7011 31.4095 0.0000 119.7939 8.1061 28 L 0.0000 58.6090 41.4101 0.0000 117.9768 7.9289 29 N 0.0000 56.1009 38.0856 0.0000 117.1376 8.4234 30 I 0.0000 65.6460 38.3282 0.0000 122.1759 8.0968 31 L 0.0000 58.6530 41.1893 0.0000 119.2220 8.1635 32 K 0.0000 59.1217 32.1901 0.0000 115.6317 8.5977 33 S 0.0000 59.5323 64.4675 0.0000 111.6669 7.5542 34 N 0.0000 51.6077 41.5055 0.0000 118.0572 7.2970 35 P 0.0000 65.5833 0.0000 0.0000 0.0000 0.0000 36 Q 0.0000 59.2348 28.3833 0.0000 118.1848 8.9226 37 L 0.0000 57.2431 41.5302 0.0000 121.6586 7.9074 38 M 0.0000 59.5307 28.1170 0.0000 119.4007 8.3816 39 A 0.0000 55.0690 18.2560 0.0000 120.0716 8.5270 40 A 0.0000 55.1680 18.1574 0.0000 120.8763 7.5150 41 F 0.0000 62.3163 40.7324 0.0000 120.2008 8.5714 42 I 0.0000 66.2793 38.1153 0.0000 117.9299 8.7007 43 K 0.0000 59.6053 32.4407 0.0000 118.2935 7.7819 44 Q 0.0000 0.0000 28.0360 0.0000 117.3749 7.6162 45 R 0.0000 59.6222 31.6080 0.0000 119.0592 8.2685 46 A 0.0000 55.3808 17.9711 0.0000 118.8367 8.0514 47 A 0.0000 54.1168 18.4861 0.0000 118.3493 7.3695 48 K 0.0000 56.4483 31.5352 0.0000 116.0695 7.6155 49 Y 0.0000 58.1198 39.1004 0.0000 118.4871 7.5844 50 Q 0.0000 57.4750 30.3814 0.0000 124.7662 7.4067 C) Human CREBBP NCBD (labeled) in complex with NCOA3 CID ————————————- #NUM AA HA CA CB CO N HN 2 S 0.0000 58.6105 64.2952 0.0000 0.0000 0.0000 3 I 0.0000 61.4508 39.3994 0.0000 123.1819 8.4865 4 S 0.0000 55.7114 63.4181 0.0000 122.8726 8.5844 5 P 0.0000 64.8333 31.8607 0.0000 0.0000 0.0000 6 S 0.0000 60.7943 62.6908 0.0000 113.0382 8.0094 7 A 0.0000 55.1115 18.6509 0.0000 125.7981 7.7081 8 L 0.0000 58.5189 42.2610 0.0000 117.8608 7.8069 9 Q 0.0000 59.5213 28.1201 0.0000 117.8822 8.3493 10 D 0.0000 57.3501 40.1864 0.0000 120.6623 8.3199 11 L 0.0000 58.6029 41.2703 0.0000 123.7016 8.7300 12 L 0.0000 58.7543 41.6424 0.0000 119.2633 8.4997 13 R 0.0000 59.4771 30.1143 0.0000 116.7859 8.0603 14 T 0.0000 66.9904 68.5564 0.0000 116.1790 8.1304 15 L 0.0000 57.4993 42.6996 0.0000 122.4955 8.7049 16 K 0.0000 57.0928 32.7536 0.0000 116.4113 7.4008 17 S 0.0000 59.6088 63.4330 0.0000 116.8714 8.3437 18 P 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19 S 0.0000 58.0392 62.9657 0.0000 117.9559 7.3996 20 S 0.0000 57.2334 63.3528 0.0000 120.3447 7.8825 21 P 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22 Q 0.0000 59.3919 27.8722 0.0000 116.8525 8.2214 23 Q 0.0000 55.5730 28.5396 0.0000 116.2915 8.0358 24 Q 0.0000 59.5207 26.9606 0.0000 124.7162 8.0536 25 Q 0.0000 58.6305 28.1118 0.0000 117.2666 7.8749 26 Q 0.0000 59.3529 28.3310 0.0000 119.6738 8.0058 27 V 0.0000 67.8070 31.2806 0.0000 119.4953 8.0873 28 L 0.0000 58.7170 41.3795 0.0000 118.1750 7.9641 29 N 0.0000 56.1490 38.0208 0.0000 117.4613 8.4714 30 I 0.0000 65.6402 38.2901 0.0000 122.2056 8.0497 31 L 0.0000 58.6424 41.0472 0.0000 118.8932 8.2552 32 K 0.0000 59.1783 32.1797 0.0000 116.3284 8.6659 33 S 0.0000 59.3964 64.5070 0.0000 111.3876 7.4753 34 N 0.0000 51.8636 41.4620 0.0000 118.3599 7.3798 35 P 0.0000 66.0469 0.0000 0.0000 0.0000 0.0000 36 Q 0.0000 59.2423 28.2808 0.0000 117.9753 8.9707 37 L 0.0000 57.2286 41.5339 0.0000 121.9175 7.8687 38 M 0.0000 59.8322 32.2892 0.0000 120.5825 8.1297 39 A 0.0000 55.3310 17.9415 0.0000 119.1279 8.0438 40 A 0.0000 55.2233 17.9568 0.0000 120.8891 7.5554 41 F 0.0000 62.0072 40.8225 0.0000 120.3154 8.6644 42 I 0.0000 66.2127 38.4266 0.0000 118.1411 8.7391 43 K 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44 Q 0.0000 58.5524 28.5307 0.0000 116.0400 7.6927 45 R 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46 T 0.0000 65.8818 69.4293 0.0000 111.6464 8.0549 47 A 0.0000 53.9063 18.5950 0.0000 121.6969 7.2299 48 K 0.0000 56.2580 31.6752 0.0000 116.1414 7.6355 49 Y 0.0000 59.0427 39.5576 0.0000 118.6553 7.8331 50 V 0.0000 63.7324 33.2475 0.0000 122.8172 7.2101 D) 1R CID (labeled) in complex with D/P NCBD ———————————————————————————————- #NUM AA HA CA CB CO N HN 2 S 0.0000 58.5570 63.8080 0.0000 0.0000 0.0000 3 E 0.0000 57.3220 29.6630 0.0000 122.9385 8.8667 4 S 0.0000 58.8090 63.7780 0.0000 116.4083 8.3513 5 Q 0.0000 56.4040 29.1890 0.0000 122.0430 8.3780 6 N 0.0000 53.7900 38.9055 0.0000 119.4325 8.3985 7 D 0.0000 55.1125 41.0945 0.0000 121.3180 8.2482 8 E 0.0000 59.2890 29.8270 0.0000 121.7990 8.4415 9 K 0.0000 59.1720 32.1420 0.0000 119.8803 8.0720 10 A 0.0000 54.9380 18.1220 0.0000 120.9450 7.9420 11 L 0.0000 57.8760 42.0420 0.0000 119.2747 7.8513 12 L 0.0000 58.0670 41.1240 0.0000 120.5165 8.2700 13 D 0.0000 57.3850 40.1110 0.0000 120.2981 8.3819 14 Q 0.0000 59.0620 28.7050 0.0000 120.2665 7.9243 15 L 0.0000 56.3980 41.3060 0.0000 121.4110 8.4400 16 D 0.0000 57.9650 41.2185 0.0000 119.3370 8.3471 17 S 0.0000 62.8300 61.3800 0.0000 113.7642 7.8945 18 L 0.0000 57.8570 42.5770 0.0000 122.7835 8.1110 19 L 0.0000 57.4350 40.9070 0.0000 119.4065 8.6767 20 S 0.0000 60.8900 63.3040 0.0000 113.6720 7.9535 21 S 0.0000 58.4720 64.3440 0.0000 114.6249 7.6061 22 T 0.0000 62.8720 69.8575 0.0000 119.0409 7.5324 23 D 0.0000 55.0905 42.5090 0.0000 125.5438 8.5915 24 E 0.0000 59.1400 29.6775 0.0000 124.5725 8.7980 25 M 0.0000 57.9170 31.8210 0.0000 118.8473 8.5711 26 E 0.0000 58.4770 0.0000 0.0000 120.4671 7.9796 27 L 0.0000 56.8320 41.6280 0.0000 0.0000 0.0000 28 A 0.0000 55.5070 18.1735 0.0000 121.2937 8.0798 29 E 0.0000 59.0805 29.2125 0.0000 117.0512 7.8865 30 I 0.0000 65.0040 37.3190 0.0000 122.8328 7.7680 31 D 0.0000 57.5260 40.0450 0.0000 120.5627 8.6848 32 R 0.0000 59.1560 30.3470 0.0000 118.3760 7.8838 33 A 0.0000 54.9650 18.6855 0.0000 123.5722 8.0120 34 L 0.0000 55.0585 43.1670 0.0000 115.8271 8.0492 35 G 0.0000 46.2285 0.0000 0.0000 107.8104 7.8713 36 I 0.0000 62.2555 37.9355 0.0000 118.2053 8.0780 37 D 0.0000 55.0665 40.3540 0.0000 121.2386 8.6218 38 K 0.0000 56.7510 32.5235 0.0000 119.8191 7.8748 39 L 0.0000 56.0995 42.1430 0.0000 121.3717 7.9637 40 V 0.0000 62.8100 32.6310 0.0000 119.0241 7.9658 41 S 0.0000 58.7185 63.8115 0.0000 118.1065 8.1850 42 Q 0.0000 56.0880 29.2240 0.0000 121.9550 8.3145 43 Q 0.0000 56.1505 29.2890 0.0000 121.1235 8.3580 44 G 0.0000 45.4010 0.0000 0.0000 110.5820 8.4300 45 G 0.0000 46.0740 0.0000 0.0000 115.2340 7.9759 E) 1R CID (labeled) in complex with 1R/2R NCBD ———————————————————————————————- #NUM AA HA CA CB CO N HN 2 S 0.0000 59.0067 63.6743 0.0000 0.0000 0.0000 3 E 0.0000 57.4642 29.5321 0.0000 123.5068 8.8087 4 S 0.0000 58.8026 63.7342 0.0000 116.9644 8.2829 5 Q 0.0000 56.5014 29.0869 0.0000 122.5993 8.3204 6 N 0.0000 53.5517 39.0367 0.0000 119.8432 8.3257 7 D 0.0000 54.9890 41.1986 0.0000 121.7778 8.1369 8 E 0.0000 59.7821 30.1094 0.0000 122.5023 8.3690 9 K 0.0000 59.3898 32.0265 0.0000 119.8728 8.0059 10 A 0.0000 54.8518 18.1711 0.0000 121.5863 7.8623 11 L 0.0000 57.8749 42.0718 0.0000 119.6506 7.8614 12 L 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13 D 0.0000 57.2739 40.0846 0.0000 0.0000 0.0000 14 Q 0.0000 59.2397 28.7568 0.0000 121.2372 7.8542 15 L 0.0000 57.6531 40.6543 0.0000 121.4443 8.3348 16 D 0.0000 56.5390 0.0000 0.0000 119.8341 8.3256 17 S 0.0000 61.5686 62.9040 0.0000 114.6663 7.9400 18 L 0.0000 58.1013 42.4498 0.0000 123.8018 8.0902 19 L 0.0000 58.0620 41.1254 0.0000 120.0974 8.2086 20 S 0.0000 60.9430 63.4880 0.0000 113.9651 7.9789 21 S 0.0000 58.5190 64.1970 0.0000 115.2116 7.5464 22 T 0.0000 63.1091 69.8768 0.0000 119.7945 7.4660 23 D 0.0000 55.4274 42.4354 0.0000 126.2108 8.5243 24 E 0.0000 59.2454 29.7100 0.0000 125.4482 8.7080 25 M 0.0000 57.9865 31.7907 0.0000 119.3352 8.5371 26 E 0.0000 58.3515 28.9746 0.0000 120.7323 7.9456 27 L 0.0000 56.9373 41.8999 0.0000 119.2143 7.7532 28 A 0.0000 55.5265 18.2529 0.0000 121.9359 8.0267 29 E 0.0000 59.2948 29.2307 0.0000 117.2135 7.8553 30 I 0.0000 65.2341 37.3053 0.0000 123.4640 7.6581 31 D 0.0000 57.7208 40.0599 0.0000 121.0306 8.6748 32 R 0.0000 59.2710 30.3268 0.0000 118.8172 7.8836 33 A 0.0000 54.8952 18.6978 0.0000 124.3866 7.9461 34 L 0.0000 54.9102 43.5047 0.0000 115.9414 7.9146 35 G 0.0000 46.0220 0.0000 0.0000 108.4050 7.7903 36 I 0.0000 62.9849 37.8671 0.0000 119.3779 8.0844 37 D 0.0000 55.2599 39.5975 0.0000 118.6666 8.4526 38 K 0.0000 56.5401 32.4679 0.0000 119.5747 7.3906 39 L 0.0000 56.4801 42.2263 0.0000 121.5798 7.6784 40 V 0.0000 62.9322 32.4472 0.0000 118.0316 7.7834 41 S 0.0000 58.8834 63.8507 0.0000 118.0677 8.0102 42 Q 0.0000 56.0504 29.1771 0.0000 122.3368 8.2087 43 Q 0.0000 56.1779 29.3181 0.0000 121.5635 8.2814 44 G 0.0000 45.3912 0.0000 0.0000 111.0225 8.3636 45 G 0.0000 45.9327 0.0000 0.0000 115.7429 7.9129 F) Human NCOA3 CID (labeled) in complex with human CREBBP NCBD ———————————————————————————————- #NUM AA HA CA CB CO N HN 2 S 0.0000 57.3930 63.9538 0.0000 123.2879 8.3293 3 E 0.0000 57.1907 29.6608 0.0000 123.0852 8.8116 4 G 0.0000 45.5303 0.0000 0.0000 109.9759 8.4894 5 Q 0.0000 55.7971 29.4698 0.0000 119.8738 8.2217 6 S 0.0000 58.7702 63.9685 0.0000 117.0948 8.4251 7 D 0.0000 57.7411 40.4356 0.0000 121.4072 8.2354 8 E 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9 R 0.0000 59.2214 29.7311 0.0000 118.8029 8.0889 10 A 0.0000 55.0591 18.1769 0.0000 121.7838 7.9784 11 L 0.0000 57.8441 42.2593 0.0000 119.1926 8.0029 12 L 0.0000 56.2407 0.0000 0.0000 120.5808 8.3594 13 D 0.0000 0.0000 41.5282 0.0000 120.5498 8.4411 14 Q 0.0000 59.6732 30.0172 0.0000 121.9277 8.5862 15 L 0.0000 58.5441 41.4711 0.0000 121.3541 8.3798 16 H 0.0000 59.3004 28.6466 0.0000 118.1475 8.4521 17 T 0.0000 66.8572 68.5693 0.0000 117.5403 8.3493 18 L 0.0000 58.6909 42.4203 0.0000 122.7038 7.9600 19 L 0.0000 56.7811 41.3145 0.0000 115.8841 8.3446 20 S 0.0000 60.0605 63.4335 0.0000 112.9554 7.7155 21 N 0.0000 53.3999 39.3944 0.0000 119.4041 7.3276 22 T 0.0000 63.0069 69.4447 0.0000 117.3630 7.9888 23 D 0.0000 54.5471 41.2596 0.0000 122.8387 8.3227 24 A 0.0000 53.8470 18.7318 0.0000 124.8300 8.0949 25 T 0.0000 64.1735 69.4766 0.0000 114.8876 8.3326 26 G 0.0000 46.3529 0.0000 0.0000 110.3185 8.5896 27 L 0.0000 56.5232 42.1487 0.0000 119.6878 7.7386 28 E 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29 E 0.0000 59.6761 28.9915 0.0000 117.9695 8.2597 30 I 0.0000 64.8921 37.3181 0.0000 122.3268 7.5583 31 D 0.0000 57.5309 39.8206 0.0000 120.2766 8.7150 32 R 0.0000 59.7863 30.2868 0.0000 117.8277 8.0027 33 A 0.0000 55.0389 18.5928 0.0000 124.0354 7.9313 34 L 0.0000 54.9390 43.2585 0.0000 115.6019 7.8396 35 G 0.0000 45.7607 0.0000 0.0000 107.4361 7.7901 36 I 0.0000 64.7333 0.0000 0.0000 119.0761 8.0156 37 P 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38 E 0.0000 59.2796 28.6432 0.0000 120.4546 7.9477 39 L 0.0000 56.4607 42.4203 0.0000 121.0469 7.9341 40 V 0.0000 63.1654 32.2502 0.0000 116.0575 7.6213 41 N 0.0000 53.7053 38.9154 0.0000 119.8500 8.0614 42 Q 0.0000 56.4890 29.1405 0.0000 119.8084 8.1647 43 G 0.0000 45.5978 0.0000 0.0000 109.8917 8.3515 44 Q 0.0000 57.3077 30.3277 0.0000 124.6923 7.8453