HEADER TRANSFERASE 22-AUG-01 1GKZ . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.MACHIUS,J.L.CHUANG,R.M.WYNN,D.R.TOMCHICK,D.T.CHUANG . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 316 # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 38 A V 0 0 74 0, 0.0 2,-0.5 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 -91.1 105.3 123.2 67.4 103.8 123.3 67.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1668 -0.8519 -0.4964 0.8734 -0.3613 0.3266 -0.4576 -0.3791 0.8043 2 39 A R E -A 9 0A 47 7,-2.0 7,-3.1 152,-0.0 2,-0.2 0.000 360.0-165.1 -93.0 127.5 104.6 122.0 63.8 103.3 121.6 63.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3139 0.1862 -0.9310 0.9061 -0.3518 0.2351 -0.2837 -0.9174 -0.2791 3 40 A L E +A 8 0A 85 -2,-0.5 5,-0.2 5,-0.2 0, 0.0 0.000 21.2 166.3-106.0 176.7 107.0 123.7 61.4 108.5 123.7 61.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1449 0.2730 -0.9511 -0.8261 0.5624 0.0355 0.5445 0.7805 0.3070 4 41 A T S S- 0 0 44 3,-1.0 -1,-0.1 -2,-0.2 4,-0.1 0.000 73.7 -17.2-152.2 -74.3 107.0 124.0 57.6 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51 88 A C T 3< S+ 0 0 65 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.000 76.3 115.4 -83.6 -11.4 102.0 149.8 35.5 102.6 150.7 34.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9133 0.1921 -0.3590 -0.3684 -0.0144 0.9296 0.1734 0.9813 0.0839 52 89 A N S <> S- 0 0 21 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 0.000 73.9-125.6 -60.5 132.4 99.4 147.3 34.3 99.5 145.8 34.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9407 -0.1692 0.2940 -0.2859 0.8618 -0.4190 -0.1824 -0.4782 -0.8591 53 90 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.000 106.3 43.9 -44.1 -53.5 96.0 148.2 36.0 94.8 148.3 35.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5727 -0.2930 0.7656 0.5916 0.4988 0.6334 -0.5675 0.8157 -0.1123 54 91 A T H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.000 113.2 51.2 -65.9 -46.4 95.2 144.9 37.5 94.9 143.6 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3531 -0.5400 0.7640 -0.4029 0.6493 0.6451 -0.8444 -0.5356 0.0117 55 92 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.000 110.9 49.8 -58.9 -41.0 98.7 144.4 38.7 100.0 144.4 37.9 0 0.0 0 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4,-2.8 1,-0.2 -1,-0.2 0.000 105.8 56.1 -60.8 -34.2 97.4 148.5 46.2 96.4 149.3 45.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5475 -0.0016 0.8368 0.8360 0.0425 0.5471 -0.0364 0.9991 -0.0219 61 98 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.000 107.3 49.2 -64.4 -44.1 95.6 145.6 48.1 95.1 144.3 47.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1959 -0.4939 0.8471 -0.2159 0.8210 0.5286 -0.9566 -0.2865 0.0542 62 99 A Y H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.000 111.0 48.9 -63.1 -38.0 98.9 144.5 49.6 100.2 143.9 48.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5711 0.3434 0.7456 -0.7284 -0.2068 0.6532 0.3785 -0.9161 0.1321 63 100 A I H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.000 113.4 48.2 -62.6 -47.9 99.8 148.1 50.7 99.9 149.4 49.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2787 0.5734 0.7704 0.5100 -0.5913 0.6247 0.8138 0.5670 -0.1276 64 101 A R H X S+ 0 0 127 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.000 111.0 49.6 -58.6 -44.8 96.3 148.4 52.3 95.0 148.4 51.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4502 -0.3396 0.8258 0.5718 0.6007 0.5587 -0.6859 0.7237 -0.0762 65 102 A A H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.000 109.9 51.4 -62.3 -43.4 96.6 145.1 54.0 96.8 143.7 53.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4863 -0.3006 0.8204 -0.6124 0.5525 0.5654 -0.6233 -0.7774 0.0846 66 103 A F H X S+ 0 0 67 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.000 111.0 49.6 -60.0 -40.7 100.0 146.1 55.3 101.3 146.6 54.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3030 0.5912 0.7474 -0.3434 -0.6639 0.6643 0.8890 -0.4579 0.0018 67 104 A Q H X S+ 0 0 110 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.000 111.0 46.1 -64.8 -49.6 98.5 149.4 56.6 97.9 150.5 55.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5501 0.2693 0.7905 0.7620 -0.2253 0.6071 0.3416 0.9363 -0.0813 68 105 A K H X S+ 0 0 80 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.000 115.5 48.2 -60.1 -38.6 95.5 147.8 58.5 94.4 147.1 57.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1050 -0.5224 0.8462 0.2410 0.8122 0.5313 -0.9648 0.2597 0.0406 69 106 A L H >< S+ 0 0 8 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 0.000 112.3 48.3 -67.5 -41.0 97.8 145.2 60.0 98.7 144.1 59.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6556 -0.0366 0.7542 -0.7455 0.1271 0.6542 -0.1198 -0.9912 0.0561 70 107 A T H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.000 109.6 53.7 -68.4 -33.5 100.3 147.8 61.1 101.2 148.6 60.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0710 0.6961 0.7144 0.0442 -0.7177 0.6949 0.9965 -0.0177 -0.0817 71 108 A D H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.000 84.0 99.4 -79.0 -5.9 97.6 150.0 62.6 96.5 150.7 61.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6096 0.0501 0.7911 0.7909 0.1056 0.6028 -0.0533 0.9931 -0.1040 72 109 A F S << S- 0 0 41 -3,-0.9 3,-0.1 -4,-0.5 12,-0.0 0.000 79.4-119.5 -83.8 135.3 96.1 147.2 64.8 95.8 145.8 64.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1020 -0.2977 0.9492 -0.3791 0.8705 0.3138 -0.9197 -0.3918 -0.0241 73 110 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.000 39.2 -78.6 -73.2 152.9 97.4 147.6 68.3 96.5 148.3 69.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5073 -0.5250 0.6835 0.8261 0.0702 -0.5592 0.2455 0.8482 0.4693 74 111 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -49,-0.1 0.000 55.8-104.8 -50.3 136.1 99.5 144.9 70.0 100.6 145.3 70.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2630 -0.8012 0.5375 -0.2655 -0.4755 -0.8387 0.9276 -0.3632 -0.0877 75 112 A I + 0 0 4 1,-0.2 3,-0.1 -3,-0.1 -50,-0.1 0.000 49.3 164.4 -69.4 118.0 97.2 142.1 71.3 97.1 140.7 70.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2825 -0.3753 0.8828 -0.5060 0.8402 0.1953 -0.8150 -0.3915 -0.4272 76 113 A K - 0 0 154 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.000 59.0 -0.6-108.6 -20.7 96.8 142.5 75.1 96.7 143.9 75.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3067 -0.3984 0.8644 0.6496 -0.7514 -0.1158 0.6957 0.5260 0.4892 77 114 A D S >> S- 0 0 70 1,-0.1 4,-2.2 -56,-0.0 3,-1.0 0.000 82.4 -81.1-161.7 173.1 93.8 140.3 75.8 93.0 141.1 76.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7813 -0.6087 -0.1382 0.6233 -0.7722 -0.1229 -0.0319 -0.1821 0.9828 78 115 A Q H 3> S+ 0 0 87 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.000 124.2 60.7 -49.6 -38.5 91.1 138.1 74.5 90.1 137.3 75.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7352 0.1056 -0.6696 0.6671 -0.0629 -0.7423 -0.1205 -0.9924 -0.0241 79 116 A A H 3> S+ 0 0 61 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.000 110.2 39.8 -56.5 -45.8 89.2 141.2 73.6 89.0 142.4 74.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0105 0.5894 -0.8078 -0.4870 -0.7086 -0.5107 -0.8733 0.3880 0.2945 80 117 A D H X> S+ 0 0 40 -3,-1.0 4,-3.2 2,-0.2 3,-0.9 0.000 111.6 54.5 -67.8 -56.2 92.0 142.2 71.2 93.4 142.7 71.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3591 -0.2979 -0.8845 -0.8352 0.3203 -0.4470 0.4164 0.8993 -0.1338 81 118 A E H 3X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.000 108.7 53.1 -46.2 -40.2 92.8 138.8 69.8 93.1 137.5 70.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4616 -0.5734 -0.6769 0.3584 0.5774 -0.7336 0.8114 -0.5813 -0.0611 82 119 A A H 3X S+ 0 0 42 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.3 0.000 109.7 43.7 -71.4 -33.2 89.1 138.6 68.8 87.9 138.5 69.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6088 0.3299 -0.7215 0.5068 -0.5379 -0.6736 -0.6103 -0.7758 0.1603 83 120 A Q H < S+ 0 0 96 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.000 110.5 52.7 -64.4 -47.0 88.3 137.6 52.0 87.0 138.1 52.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2866 0.4974 -0.8188 0.4004 -0.7143 -0.5740 -0.8704 -0.4923 0.0055 94 131 A D H 3< S+ 0 0 70 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.000 112.1 47.6 -57.1 -32.4 89.6 140.9 50.4 90.2 142.1 51.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5750 0.2061 -0.7918 -0.7414 -0.2781 -0.6107 -0.3461 0.9382 -0.0072 95 132 A H T >< S+ 0 0 22 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.000 79.8 113.2 -96.8 21.9 92.5 138.9 48.8 93.8 138.6 49.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2494 -0.7414 -0.6230 -0.4049 0.5046 -0.7625 0.8797 0.4424 -0.1743 96 133 A K T < S+ 0 0 127 -3,-1.9 3,-0.3 1,-0.3 4,-0.2 0.000 79.6 37.9 -61.7 -48.7 90.3 136.1 47.5 88.7 136.0 47.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0711 -0.5779 -0.8130 0.8534 -0.4572 0.2504 -0.5164 -0.6760 0.5257 97 134 A D T 3> S+ 0 0 88 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.3 0.000 82.9 113.0 -97.9 37.2 90.7 136.7 43.8 89.6 137.3 43.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6698 0.1293 -0.7312 0.4281 -0.8718 0.2380 -0.6067 -0.4724 -0.6393 98 135 A V H <> S+ 0 0 0 -3,-1.2 4,-3.1 2,-0.2 5,-0.2 0.000 74.6 47.8 -73.0 -50.2 94.4 137.6 43.9 95.3 137.8 45.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8262 -0.1308 -0.5480 -0.4207 0.5037 -0.7545 0.3747 0.8539 0.3611 99 136 A V H > S+ 0 0 24 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.000 115.0 49.8 -55.9 -38.8 96.0 134.6 42.1 95.9 133.1 42.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0150 -0.2562 -0.9665 0.6348 0.7493 -0.1888 0.7725 -0.6107 0.1739 100 137 A T H > S+ 0 0 74 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.000 111.8 46.2 -66.6 -43.3 93.3 135.1 39.4 91.8 135.0 39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1395 0.6165 -0.7749 0.7771 -0.4168 -0.4715 -0.6137 -0.6680 -0.4209 101 138 A L H X S+ 0 0 46 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.000 111.5 52.3 -66.0 -42.0 94.0 138.8 39.1 93.8 139.8 40.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7272 0.5644 -0.3907 -0.2895 -0.2639 -0.9201 -0.6224 0.7822 -0.0284 102 139 A L H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.000 109.0 49.7 -59.7 -53.3 97.8 138.2 39.0 98.7 137.4 40.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6182 -0.2800 -0.7344 -0.1344 0.8830 -0.4497 0.7744 0.3768 0.5083 103 140 A A H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.000 114.9 44.2 -53.9 -45.0 97.4 135.7 36.2 96.7 134.3 36.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1868 0.0936 -0.9779 0.9013 0.4123 -0.1327 0.3908 -0.9062 -0.1614 104 141 A E H X S+ 0 0 87 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.000 114.1 48.9 -65.2 -49.5 95.2 138.1 34.1 93.9 138.6 34.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1730 0.8248 -0.5384 0.5101 -0.5426 -0.6674 -0.8426 -0.1592 -0.5145 105 142 A G H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.000 117.3 41.3 -54.0 -46.5 97.4 141.1 34.8 97.8 141.6 36.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8742 0.3132 -0.3712 -0.4488 0.2292 -0.8637 -0.1854 0.9216 0.3409 106 143 A L H < S+ 0 0 6 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.000 97.9 77.3 -76.2 -21.8 100.6 139.2 33.8 101.3 138.2 34.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4416 -0.4167 -0.7946 0.0728 0.8993 -0.4312 0.8943 0.1326 0.4275 107 144 A R H < S+ 0 0 133 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.000 103.3 35.4 -54.2 -58.3 99.0 137.4 30.8 97.5 137.0 30.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0720 0.1124 -0.9911 0.9321 -0.3613 0.0268 -0.3551 -0.9257 -0.1307 108 145 A E H < S+ 0 0 99 -4,-1.1 4,-0.5 -3,-0.2 2,-0.4 0.000 99.7 83.3 -61.3 -64.5 99.2 140.5 28.6 98.3 141.8 28.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7634 0.5444 -0.3477 0.2576 -0.7502 -0.6089 -0.5923 0.3753 -0.7130 109 146 A S S < S+ 0 0 5 -4,-1.0 -1,-0.1 1,-0.2 -60,-0.1 0.000 79.8 60.3 -54.4 95.5 102.6 141.9 30.0 102.8 142.6 31.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9631 -0.2688 -0.0149 0.0361 0.1840 -0.9823 0.2668 0.9455 0.1869 110 147 A R S S+ 0 0 125 -2,-0.4 -1,-0.2 3,-0.1 4,-0.1 0.000 86.6 69.1 142.4 45.0 105.2 139.9 28.0 105.6 138.7 28.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2386 -0.4793 -0.8446 0.4139 0.8370 -0.3580 0.8785 -0.2641 0.3981 111 148 A K S S+ 0 0 182 2,-0.1 -2,-0.1 0, 0.0 -3,-0.1 0.000 118.0 32.0-125.8 -36.5 104.2 141.0 24.5 102.8 141.6 24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3331 0.7090 -0.6216 0.7732 -0.5827 -0.2502 -0.5396 -0.3973 -0.7423 112 149 A H S S+ 0 0 117 -4,-0.5 -3,-0.1 2,-0.0 -64,-0.1 0.000 117.4 159.7 -86.6 -30.1 105.7 143.8 26.2 104.7 144.9 26.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8717 0.2101 0.4427 0.4663 -0.0782 -0.8812 -0.1506 0.9745 -0.1661 113 150 A I - 0 0 80 1,-0.1 2,-0.2 -65,-0.1 -3,-0.1 0.000 28.2-160.6 17.4 175.6 108.3 141.2 28.3 108.6 139.9 27.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8702 -0.0996 0.4826 -0.4380 0.2922 0.8501 -0.2257 -0.9512 0.2107 114 151 A E - 0 0 85 1,-0.1 5,-0.4 2,-0.1 4,-0.3 0.000 60.5 -4.5-172.4 150.5 111.6 141.1 30.4 111.3 142.1 31.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7626 -0.4069 0.5029 0.5018 -0.1184 -0.8568 0.4082 0.9058 0.1139 115 152 A D S >> S- 0 0 71 -2,-0.2 3,-2.6 2,-0.1 4,-0.5 0.000 75.0-121.5 15.5 104.8 114.3 138.5 31.6 114.8 138.7 33.0 0 0.0 0 0.0 0 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