REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "s-citryldethia Coenzyme A" RESIDUE SDX 44 119 1 119 1 CHI1 0 0 0.0000 21 1 2 3 20 2 CHI2 0 0 0.0000 1 2 3 4 17 3 CHI3 0 0 0.0000 2 3 4 5 11 4 CHI4 0 0 0.0000 3 4 5 6 8 5 CHI5 0 0 0.0000 4 5 6 7 7 6 CHI6 0 0 0.0000 2 3 12 13 15 7 CHI7 0 0 0.0000 3 12 14 15 15 8 CHI8 0 0 0.0000 2 3 16 17 17 9 PHI1 0 0 0.0000 2 1 22 26 0 10 PHI2 0 0 0.0000 1 22 26 30 0 11 PHI3 0 0 0.0000 22 26 30 34 0 12 PHI4 0 0 0.0000 26 30 34 36 0 13 PHI5 0 0 0.0000 30 34 36 38 0 14 PHI6 0 0 0.0000 34 36 38 42 0 15 PHI7 0 0 0.0000 36 38 42 46 0 16 PHI8 0 0 0.0000 38 42 46 48 0 17 PHI9 0 0 0.0000 42 46 48 52 0 18 CHI9 0 0 0.0000 46 48 49 50 50 19 PHI10 0 0 0.0000 46 48 52 56 0 20 CHI10 0 0 0.0000 48 52 53 54 54 21 PHI11 0 0 0.0000 48 52 56 68 0 22 CHI11 0 0 0.0000 52 56 57 58 61 23 CHI12 0 0 0.0000 52 56 62 63 66 24 PHI12 0 0 0.0000 52 56 68 72 0 25 PHI13 0 0 0.0000 56 68 72 73 0 26 PHI14 0 0 0.0000 68 72 73 77 0 27 CHI13 0 0 0.0000 72 73 74 75 75 28 PHI15 0 0 0.0000 72 73 77 78 0 29 PHI16 0 0 0.0000 73 77 78 82 0 30 CHI14 0 0 0.0000 77 78 80 81 81 31 PHI17 0 0 0.0000 77 78 82 83 0 32 PHI18 0 0 0.0000 78 82 83 87 0 33 PHI19 0 0 0.0000 82 83 87 102 0 34 CHI15 0 0 0.0000 83 87 88 89 100 35 CHI16 0 0 0.0000 87 88 89 90 95 36 CHI17 0 0 0.0000 88 89 90 91 95 37 CHI18 0 0 0.0000 89 90 92 93 93 38 CHI19 0 0 0.0000 89 90 94 95 95 39 CHI20 0 0 0.0000 87 88 96 97 99 40 CHI21 0 0 0.0000 88 96 97 98 98 41 PHI20 0 0 0.0000 83 87 102 103 0 42 PHI21 0 0 0.0000 87 102 103 105 0 43 PHI22 0 0 0.0000 102 103 105 109 0 44 PHI23 0 0 0.0000 112 115 116 118 0 1 C2 C_BYL 0 0.0000 -13.0780 -0.3960 0.6270 2 21 22 0 0 2 C3 C_ALI 0 0.0000 -14.1520 -1.0890 1.4260 1 3 18 19 0 3 C20 C_ALI 0 0.0000 -15.4750 -0.3380 1.2600 2 4 12 16 0 4 C40 C_ALI 0 0.0000 -16.5350 -0.9660 2.1670 3 5 9 10 0 5 C50 C_BYL 0 0.0000 -17.8380 -0.2270 2.0030 4 6 8 0 0 6 O51 O_HYD 0 0.0000 -18.9170 -0.6050 2.7060 5 7 0 0 0 7 HO51 H_OXY 0 0.0000 -19.7300 -0.1010 2.5670 6 0 0 0 0 8 O52 O_BYL 0 0.0000 -17.9120 0.7060 1.2390 5 0 0 0 0 9 H40 H_ALI 0 0.0000 -16.2090 -0.9010 3.2050 4 0 0 0 11 10 H40A H_ALI 0 0.0000 -16.6740 -2.0120 1.8950 4 0 0 0 11 11 Q1 PSEUD 0 0.0000 -16.4415 -1.4565 2.5500 0 0 0 0 0 12 C30 C_BYL 0 0.0000 -15.2830 1.1080 1.6370 3 13 14 0 0 13 O32 O_BYL 0 0.0000 -15.4920 1.9770 0.8230 12 0 0 0 0 14 O31 O_HYD 0 0.0000 -14.8810 1.4310 2.8760 12 15 0 0 0 15 HO31 H_OXY 0 0.0000 -14.7720 2.3720 3.0710 14 0 0 0 0 16 O20 O_HYD 0 0.0000 -15.9030 -0.4230 -0.1010 3 17 0 0 0 17 HO20 H_OXY 0 0.0000 -16.0460 -1.3270 -0.4130 16 0 0 0 0 18 H3 H_ALI 0 0.0000 -14.2670 -2.1120 1.0700 2 0 0 0 20 19 H3A H_ALI 0 0.0000 -13.8710 -1.1000 2.4790 2 0 0 0 20 20 Q2 PSEUD 0 0.0000 -14.0690 -1.6060 1.7745 0 0 0 0 0 21 O2 O_BYL 0 0.0000 -13.3440 0.5950 -0.0100 1 0 0 0 0 22 C1 C_ALI 0 0.0000 -11.6720 -0.9370 0.6280 1 23 24 26 0 23 H1 H_ALI 0 0.0000 -11.2830 -0.9380 1.6460 22 0 0 0 25 24 H1A H_ALI 0 0.0000 -11.6740 -1.9560 0.2400 22 0 0 0 25 25 Q3 PSEUD 0 0.0000 -11.4785 -1.4470 0.9430 0 0 0 0 0 26 CP2 C_ALI 0 0.0000 -10.7860 -0.0560 -0.2560 22 27 28 30 0 27 HP2 H_ALI 0 0.0000 -11.1740 -0.0560 -1.2740 26 0 0 0 29 28 HP2A H_ALI 0 0.0000 -10.7840 0.9620 0.1330 26 0 0 0 29 29 Q4 PSEUD 0 0.0000 -10.9790 0.4530 -0.5705 0 0 0 0 0 30 CP3 C_ALI 0 0.0000 -9.3580 -0.6060 -0.2550 26 31 32 34 0 31 HP3 H_ALI 0 0.0000 -8.9690 -0.6060 0.7640 30 0 0 0 33 32 HP3A H_ALI 0 0.0000 -9.3600 -1.6240 -0.6430 30 0 0 0 33 33 Q5 PSEUD 0 0.0000 -9.1645 -1.1150 0.0605 0 0 0 0 0 34 NP4 N_AMI 0 0.0000 -8.5100 0.2380 -1.1010 30 35 36 0 0 35 HNP4 H_AMI 0 0.0000 -8.8890 1.0080 -1.5530 34 0 0 0 0 36 CP5 C_BYL 0 0.0000 -7.2030 -0.0560 -1.2510 34 37 38 0 0 37 OP5 O_BYL 0 0.0000 -6.7290 -1.0190 -0.6860 36 0 0 0 0 38 CP6 C_ALI 0 0.0000 -6.3310 0.8110 -2.1210 36 39 40 42 0 39 HP6 H_ALI 0 0.0000 -6.7190 0.8120 -3.1390 38 0 0 0 41 40 HP6A H_ALI 0 0.0000 -6.3280 1.8300 -1.7330 38 0 0 0 41 41 Q6 PSEUD 0 0.0000 -6.5235 1.3210 -2.4360 0 0 0 0 0 42 CP7 C_ALI 0 0.0000 -4.9030 0.2620 -2.1200 38 43 44 46 0 43 HP7 H_ALI 0 0.0000 -4.5140 0.2620 -1.1020 42 0 0 0 45 44 HP7A H_ALI 0 0.0000 -4.9050 -0.7570 -2.5090 42 0 0 0 45 45 Q7 PSEUD 0 0.0000 -4.7095 -0.2475 -1.8055 0 0 0 0 0 46 NP8 N_AMI 0 0.0000 -4.0520 1.1080 -2.9690 42 47 48 0 0 47 HNP8 H_AMI 0 0.0000 -4.4280 1.1760 -3.9030 46 0 0 0 0 48 CP9 C_ALI 0 0.0000 -2.6710 0.6090 -2.9920 46 49 51 52 0 49 OP9 O_HYD 0 0.0000 -2.4530 -0.1360 -4.1910 48 50 0 0 0 50 HOP9 H_OXY 0 0.0000 -2.5860 0.3740 -5.0020 49 0 0 0 0 51 HP9 H_ALI 0 0.0000 -2.5020 -0.0340 -2.1280 48 0 0 0 0 52 CQ0 C_ALI 0 0.0000 -1.7010 1.7920 -2.9440 48 53 55 56 0 53 OQ0 O_HYD 0 0.0000 -1.8280 2.5610 -4.1420 52 54 0 0 0 54 HOQ0 H_OXY 0 0.0000 -1.6350 2.0660 -4.9490 53 0 0 0 0 55 HQ0 H_ALI 0 0.0000 -1.9350 2.4190 -2.0830 52 0 0 0 0 56 CQ1 C_ALI 0 0.0000 -0.2680 1.2720 -2.8220 52 57 62 68 0 57 CQ3 C_ALI 0 0.0000 0.1100 0.5130 -4.0960 56 58 59 60 0 58 HQ3 H_ALI 0 0.0000 -0.0880 1.1410 -4.9640 57 0 0 0 61 59 HQ3A H_ALI 0 0.0000 1.1690 0.2580 -4.0660 57 0 0 0 61 60 HQ3B H_ALI 0 0.0000 -0.4820 -0.4000 -4.1640 57 0 0 0 61 61 Q8 PSEUD 0 0.0000 0.1997 0.3330 -4.3980 0 0 0 0 67 62 CQ4 C_ALI 0 0.0000 0.6880 2.4510 -2.6280 56 63 64 65 0 63 HQ4 H_ALI 0 0.0000 0.4800 2.9340 -1.6740 62 0 0 0 66 64 HQ4A H_ALI 0 0.0000 1.7170 2.0900 -2.6360 62 0 0 0 66 65 HQ4B H_ALI 0 0.0000 0.5490 3.1680 -3.4370 62 0 0 0 66 66 Q9 PSEUD 0 0.0000 0.9153 2.7307 -2.5823 0 0 0 0 67 67 QQA PSEUD 0 0.0000 0.5575 1.5318 -3.4902 0 0 0 0 0 68 CQ2 C_ALI 0 0.0000 -0.1670 0.3310 -1.6190 56 69 70 72 0 69 HQ2 H_ALI 0 0.0000 -0.4360 0.8710 -0.7120 68 0 0 0 71 70 HQ2A H_ALI 0 0.0000 -0.8480 -0.5090 -1.7570 68 0 0 0 71 71 Q10 PSEUD 0 0.0000 -0.6420 0.1810 -1.2345 0 0 0 0 0 72 OA6 O_EST 0 0.0000 1.1720 -0.1550 -1.5050 68 73 0 0 0 73 PA2 P_ALI 0 0.0000 1.6400 -1.1710 -0.3480 72 74 76 77 0 74 OA4 O_HYD 0 0.0000 0.8820 -2.5800 -0.5320 73 75 0 0 0 75 HOA4 H_OXY 0 0.0000 1.0560 -3.0130 -1.3790 74 0 0 0 0 76 OA5 O_XXX 0 0.0000 1.3050 -0.6000 0.9760 73 0 0 0 0 77 OA3 O_EST 0 0.0000 3.2310 -1.4010 -0.4460 73 78 0 0 0 78 PA1 P_ALI 0 0.0000 4.3350 -2.0220 0.5480 77 79 80 82 0 79 OA1 O_XXX 0 0.0000 4.0520 -1.5850 1.9330 78 0 0 0 0 80 OA2 O_HYD 0 0.0000 4.2840 -3.6290 0.4700 78 81 0 0 0 81 HOA2 H_OXY 0 0.0000 4.4600 -3.9860 -0.4110 80 0 0 0 0 82 OB5 O_EST 0 0.0000 5.7980 -1.5100 0.1120 78 83 0 0 0 83 CB5 C_ALI 0 0.0000 6.9790 -1.8020 0.8600 82 84 85 87 0 84 HB5 H_ALI 0 0.0000 6.8810 -1.3970 1.8670 83 0 0 0 86 85 HB5A H_ALI 0 0.0000 7.1170 -2.8820 0.9150 83 0 0 0 86 86 Q11 PSEUD 0 0.0000 6.9990 -2.1395 1.3910 0 0 0 0 0 87 CB4 C_ALI 0 0.0000 8.1890 -1.1680 0.1710 83 88 101 102 0 88 CB3 C_ALI 0 0.0000 9.4820 -1.5660 0.9090 87 89 96 100 0 89 OB3 O_EST 0 0.0000 10.3600 -2.2760 0.0340 88 90 0 0 0 90 PB3 P_ALI 0 0.0000 10.8530 -3.7820 0.3180 89 91 92 94 0 91 OA8 O_XXX 0 0.0000 11.4780 -3.8520 1.6580 90 0 0 0 0 92 OA9 O_HYD 0 0.0000 9.5900 -4.7800 0.2620 90 93 0 0 0 93 HOA9 H_OXY 0 0.0000 9.1310 -4.7860 -0.5890 92 0 0 0 0 94 OA7 O_HYD 0 0.0000 11.9290 -4.2150 -0.7990 90 95 0 0 0 95 HOA7 H_OXY 0 0.0000 12.2700 -5.1130 -0.6890 94 0 0 0 0 96 CB2 C_ALI 0 0.0000 10.1090 -0.2150 1.3320 88 97 99 103 0 97 OB2 O_HYD 0 0.0000 11.5260 -0.2300 1.1460 96 98 0 0 0 98 HOB2 H_OXY 0 0.0000 11.9640 0.5940 1.3970 97 0 0 0 0 99 HB2 H_ALI 0 0.0000 9.8560 0.0250 2.3650 96 0 0 0 0 100 HB3 H_ALI 0 0.0000 9.2490 -2.1700 1.7870 88 0 0 0 0 101 HB4 H_ALI 0 0.0000 8.2380 -1.4950 -0.8680 87 0 0 0 0 102 OB4 O_EST 0 0.0000 8.0890 0.2650 0.2280 87 103 0 0 0 103 CB1 C_ALI 0 0.0000 9.4330 0.7770 0.3520 96 102 104 105 0 104 HB1 H_ALI 0 0.0000 9.9370 0.7700 -0.6140 103 0 0 0 0 105 NA9 N_AMI 0 0.0000 9.4200 2.1300 0.9150 103 106 109 0 0 106 CA8 C_ARO 0 0.0000 8.4330 2.6740 1.6820 105 107 108 0 0 107 NA7 N_AMO 0 0.0000 8.7490 3.8930 2.0130 106 114 0 0 0 108 HA8 H_ALI 0 0.0000 7.5250 2.1690 1.9740 106 0 0 0 0 109 CA4 C_ARO 0 0.0000 10.3950 3.0820 0.7620 105 110 114 0 0 110 NA3 N_AMO 0 0.0000 11.5640 3.1360 0.1320 109 111 0 0 0 111 CA2 C_ARO 0 0.0000 12.2970 4.2280 0.1700 110 112 113 0 0 112 NA1 N_AMO 0 0.0000 11.9220 5.3120 0.8260 111 115 0 0 0 113 HA2 H_ALI 0 0.0000 13.2420 4.2390 -0.3530 111 0 0 0 0 114 CA5 C_ARO 0 0.0000 9.9500 4.2100 1.4730 107 109 115 0 0 115 CA6 C_ARO 0 0.0000 10.7690 5.3520 1.4850 112 114 116 0 0 116 NA6 N_AMI 0 0.0000 10.3840 6.4920 2.1690 115 117 118 0 0 117 HNA6 H_AMI 0 0.0000 10.9580 7.2740 2.1700 116 0 0 0 119 118 HNAA H_AMI 0 0.0000 9.5390 6.5090 2.6460 116 0 0 0 119 119 Q12 PSEUD 0 0.0000 10.2485 6.8915 2.4080 0 0 0 0 0