REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CITRYL-THIOETHER-COENZYME *A" RESIDUE CIC 43 116 1 116 1 CHI1 0 0 0.0000 1 2 7 8 10 2 PHI1 0 0 0.0000 5 15 16 31 0 3 CHI2 0 0 0.0000 15 16 17 18 29 4 CHI3 0 0 0.0000 16 17 18 19 19 5 CHI4 0 0 0.0000 16 17 20 21 28 6 CHI5 0 0 0.0000 17 20 21 22 27 7 CHI6 0 0 0.0000 20 21 22 23 27 8 CHI7 0 0 0.0000 21 22 24 25 25 9 CHI8 0 0 0.0000 21 22 26 27 27 10 PHI2 0 0 0.0000 15 16 31 32 0 11 PHI3 0 0 0.0000 16 31 32 34 0 12 PHI4 0 0 0.0000 31 32 34 38 0 13 PHI5 0 0 0.0000 32 34 38 39 0 14 PHI6 0 0 0.0000 34 38 39 43 0 15 CHI9 0 0 0.0000 38 39 41 42 42 16 PHI7 0 0 0.0000 38 39 43 44 0 17 PHI8 0 0 0.0000 39 43 44 48 0 18 CHI10 0 0 0.0000 43 44 46 47 47 19 PHI9 0 0 0.0000 43 44 48 49 0 20 PHI10 0 0 0.0000 44 48 49 53 0 21 PHI11 0 0 0.0000 48 49 53 65 0 22 CHI11 0 0 0.0000 49 53 54 55 58 23 CHI12 0 0 0.0000 49 53 59 60 63 24 PHI12 0 0 0.0000 49 53 65 69 0 25 CHI13 0 0 0.0000 53 65 66 67 67 26 PHI13 0 0 0.0000 53 65 69 71 0 27 PHI14 0 0 0.0000 65 69 71 73 0 28 PHI15 0 0 0.0000 69 71 73 77 0 29 PHI16 0 0 0.0000 71 73 77 81 0 30 PHI17 0 0 0.0000 73 77 81 83 0 31 PHI18 0 0 0.0000 77 81 83 85 0 32 PHI19 0 0 0.0000 81 83 85 89 0 33 PHI20 0 0 0.0000 83 85 89 93 0 34 PHI21 0 0 0.0000 85 89 93 94 0 35 PHI22 0 0 0.0000 89 93 94 98 0 36 PHI23 0 0 0.0000 93 94 98 102 0 37 PHI24 0 0 0.0000 94 98 102 109 0 38 CHI14 0 0 0.0000 98 102 103 104 104 39 CHI15 0 0 0.0000 98 102 105 106 108 40 CHI16 0 0 0.0000 102 105 107 108 108 41 PHI25 0 0 0.0000 98 102 109 113 0 42 PHI26 0 0 0.0000 102 109 113 115 0 43 PHI27 0 0 0.0000 109 113 115 116 0 1 N1A N_AMI 0 0.0000 -7.8370 -2.0310 -6.9490 2 11 0 0 0 2 C6A C_ARO 0 0.0000 -7.4040 -1.7580 -5.7220 1 3 7 0 0 3 C5A C_ARO 0 0.0000 -6.0690 -1.3510 -5.5590 2 4 14 0 0 4 N7A N_AMO 0 0.0000 -5.3030 -1.0010 -4.4980 3 5 0 0 0 5 C8A C_ARO 0 0.0000 -4.1050 -0.7020 -4.9080 4 6 15 0 0 6 H8A H_ALI 0 0.0000 -3.2920 -0.3890 -4.2710 5 0 0 0 0 7 N6A N_AMO 0 0.0000 -8.2480 -1.8720 -4.6320 2 8 9 0 0 8 H61A H_AMI 0 0.0000 -9.1680 -2.1540 -4.7570 7 0 0 0 10 9 H62A H_AMI 0 0.0000 -7.9210 -1.6700 -3.7410 7 0 0 0 10 10 Q1 PSEUD 0 0.0000 -8.5445 -1.9120 -4.2490 0 0 0 0 0 11 C2A C_ARO 0 0.0000 -7.0390 -1.9250 -7.9950 1 12 13 0 0 12 H2A H_ALI 0 0.0000 -7.4320 -2.1570 -8.9740 11 0 0 0 0 13 N3A N_AMI 0 0.0000 -5.7820 -1.5470 -7.8900 11 14 0 0 0 14 C4A C_ARO 0 0.0000 -5.2620 -1.2480 -6.7040 3 13 15 0 0 15 N9A N_AMI 0 0.0000 -4.0280 -0.8420 -6.2620 5 14 16 0 0 16 C1B C_ALI 0 0.0000 -2.8470 -0.5980 -7.0930 15 17 30 31 0 17 C2B C_ALI 0 0.0000 -2.7470 0.8990 -7.4790 16 18 20 29 0 18 O2B O_HYD 0 0.0000 -3.5100 1.1740 -8.6550 17 19 0 0 0 19 HO2A H_OXY 0 0.0000 -4.4310 0.9650 -8.4460 18 0 0 0 0 20 C3B C_ALI 0 0.0000 -1.2290 1.0620 -7.7550 17 21 28 32 0 21 O3B O_EST 0 0.0000 -0.9630 0.9790 -9.1560 20 22 0 0 0 22 P3B P_ALI 0 0.0000 -0.2520 2.3600 -9.5780 21 23 24 26 0 23 O7A O_XXX 0 0.0000 1.0040 2.5220 -8.8140 22 0 0 0 0 24 O8A O_HYD 0 0.0000 0.0770 2.3350 -11.1540 22 25 0 0 0 25 HOA8 H_OXY 0 0.0000 0.5000 3.1780 -11.3650 24 0 0 0 0 26 O9A O_HYD 0 0.0000 -1.2380 3.5910 -9.2560 22 27 0 0 0 27 HOA9 H_OXY 0 0.0000 -2.0430 3.4480 -9.7730 26 0 0 0 0 28 H3B H_ALI 0 0.0000 -0.8680 2.0100 -7.3550 20 0 0 0 0 29 H2B H_ALI 0 0.0000 -3.0640 1.5350 -6.6530 17 0 0 0 0 30 H1B H_ALI 0 0.0000 -2.8710 -1.2240 -7.9860 16 0 0 0 0 31 O4B O_EST 0 0.0000 -1.6380 -0.8340 -6.3400 16 32 0 0 0 32 C4B C_ALI 0 0.0000 -0.5830 -0.1180 -7.0050 20 31 33 34 0 33 H4B H_ALI 0 0.0000 -0.0780 -0.7750 -7.7120 32 0 0 0 0 34 C5B C_ALI 0 0.0000 0.4190 0.4050 -5.9740 32 35 36 38 0 35 H51A H_ALI 0 0.0000 -0.0940 1.0510 -5.2630 34 0 0 0 37 36 H52A H_ALI 0 0.0000 1.1990 0.9720 -6.4820 34 0 0 0 37 37 Q2 PSEUD 0 0.0000 0.5525 1.0115 -5.8725 0 0 0 0 0 38 O5B O_EST 0 0.0000 1.0070 -0.6960 -5.2790 34 39 0 0 0 39 P1A P_ALI 0 0.0000 2.0450 -0.0750 -4.2170 38 40 41 43 0 40 O1A O_XXX 0 0.0000 3.0780 0.7030 -4.9360 39 0 0 0 0 41 O2A O_HYD 0 0.0000 1.2580 0.8890 -3.1970 39 42 0 0 0 42 HOA2 H_OXY 0 0.0000 0.5960 0.3430 -2.7510 41 0 0 0 0 43 O3A O_EST 0 0.0000 2.7480 -1.2670 -3.3950 39 44 0 0 0 44 P2A P_ALI 0 0.0000 3.7680 -0.5780 -2.3570 43 45 46 48 0 45 O4A O_XXX 0 0.0000 4.7750 0.2080 -3.1040 44 0 0 0 0 46 O5A O_HYD 0 0.0000 2.9520 0.3940 -1.3680 44 47 0 0 0 47 HOA5 H_OXY 0 0.0000 2.3080 -0.1560 -0.9020 46 0 0 0 0 48 O6A O_EST 0 0.0000 4.5100 -1.7190 -1.4960 44 49 0 0 0 49 CCP C_ALI 0 0.0000 5.3970 -1.0480 -0.5990 48 50 51 53 0 50 H121 H_ALI 0 0.0000 4.8240 -0.3840 0.0490 49 0 0 0 52 51 H122 H_ALI 0 0.0000 6.1180 -0.4630 -1.1700 49 0 0 0 52 52 Q3 PSEUD 0 0.0000 5.4710 -0.4235 -0.5605 0 0 0 0 0 53 CBP C_ALI 0 0.0000 6.1370 -2.0800 0.2530 49 54 59 65 0 54 CDP C_ALI 0 0.0000 5.1250 -2.9000 1.0550 53 55 56 57 0 55 H131 H_ALI 0 0.0000 4.4700 -2.2270 1.6090 54 0 0 0 58 56 H132 H_ALI 0 0.0000 4.5290 -3.5080 0.3740 54 0 0 0 58 57 H133 H_ALI 0 0.0000 5.6540 -3.5490 1.7530 54 0 0 0 58 58 Q4 PSEUD 0 0.0000 4.8843 -3.0947 1.2453 0 0 0 0 64 59 CEP C_ALI 0 0.0000 6.9410 -3.0110 -0.6560 53 60 61 62 0 60 H141 H_ALI 0 0.0000 7.7070 -2.4370 -1.1770 59 0 0 0 63 61 H142 H_ALI 0 0.0000 7.4140 -3.7870 -0.0550 59 0 0 0 63 62 H143 H_ALI 0 0.0000 6.2740 -3.4720 -1.3850 59 0 0 0 63 63 Q5 PSEUD 0 0.0000 7.1317 -3.2320 -0.8723 0 0 0 0 64 64 QQA PSEUD 0 0.0000 6.0080 -3.1633 0.1865 0 0 0 0 0 65 CAP C_ALI 0 0.0000 7.0870 -1.3610 1.2140 53 66 68 69 0 66 OAP O_HYD 0 0.0000 8.1150 -0.7070 0.4670 65 67 0 0 0 67 HO1 H_OXY 0 0.0000 7.6760 -0.0750 -0.1170 66 0 0 0 0 68 H10 H_ALI 0 0.0000 7.5360 -2.0870 1.8910 65 0 0 0 0 69 C9P C_BYL 0 0.0000 6.3170 -0.3400 2.0110 65 70 71 0 0 70 O9P O_BYL 0 0.0000 6.4830 0.8420 1.8010 69 0 0 0 0 71 N8P N_AMI 0 0.0000 5.4440 -0.7410 2.9560 69 72 73 0 0 72 HN8 H_AMI 0 0.0000 5.2710 -1.6860 3.0870 71 0 0 0 0 73 C7P C_ALI 0 0.0000 4.7560 0.2500 3.7860 71 74 75 77 0 74 H71 H_ALI 0 0.0000 5.4910 0.8350 4.3380 73 0 0 0 76 75 H72 H_ALI 0 0.0000 4.1690 0.9120 3.1490 73 0 0 0 76 76 Q6 PSEUD 0 0.0000 4.8300 0.8735 3.7435 0 0 0 0 0 77 C6P C_ALI 0 0.0000 3.8280 -0.4630 4.7710 73 78 79 81 0 78 H61 H_ALI 0 0.0000 3.0930 -1.0480 4.2190 77 0 0 0 80 79 H62 H_ALI 0 0.0000 4.4150 -1.1250 5.4080 77 0 0 0 80 80 Q7 PSEUD 0 0.0000 3.7540 -1.0865 4.8135 0 0 0 0 0 81 C5P C_BYL 0 0.0000 3.1210 0.5560 5.6240 77 82 83 0 0 82 O5P O_BYL 0 0.0000 3.3360 1.7390 5.4610 81 0 0 0 0 83 N4P N_AMI 0 0.0000 2.2480 0.1550 6.5700 81 84 85 0 0 84 HN4 H_AMI 0 0.0000 2.0750 -0.7890 6.7010 83 0 0 0 0 85 C3P C_ALI 0 0.0000 1.5590 1.1470 7.3990 83 86 87 89 0 86 H31 H_ALI 0 0.0000 2.2950 1.7320 7.9520 85 0 0 0 88 87 H32 H_ALI 0 0.0000 0.9720 1.8090 6.7630 85 0 0 0 88 88 Q8 PSEUD 0 0.0000 1.6335 1.7705 7.3575 0 0 0 0 0 89 C2P C_ALI 0 0.0000 0.6320 0.4330 8.3850 85 90 91 93 0 90 H21 H_ALI 0 0.0000 -0.1030 -0.1510 7.8330 89 0 0 0 92 91 H22 H_ALI 0 0.0000 1.2190 -0.2280 9.0220 89 0 0 0 92 92 Q9 PSEUD 0 0.0000 0.5580 -0.1895 8.4275 0 0 0 0 0 93 S1P S_RED 0 0.0000 -0.2190 1.6610 9.4120 89 94 0 0 0 94 C1P C_ALI 0 0.0000 -1.2190 0.5620 10.4530 93 95 96 98 0 95 H11 H_ALI 0 0.0000 -1.8850 -0.0270 9.8240 94 0 0 0 97 96 H12 H_ALI 0 0.0000 -0.5630 -0.1030 11.0130 94 0 0 0 97 97 Q10 PSEUD 0 0.0000 -1.2240 -0.0650 10.4185 0 0 0 0 0 98 C1 C_ALI 0 0.0000 -2.0480 1.3990 11.4300 94 99 100 102 0 99 H111 H_ALI 0 0.0000 -1.3810 1.9890 12.0590 98 0 0 0 101 100 H123 H_ALI 0 0.0000 -2.7040 2.0660 10.8700 98 0 0 0 101 101 Q11 PSEUD 0 0.0000 -2.0425 2.0275 11.4645 0 0 0 0 0 102 C2 C_ALI 0 0.0000 -2.8910 0.4730 12.3080 98 103 105 109 0 103 O2 O_HYD 0 0.0000 -2.0300 -0.4010 13.0410 102 104 0 0 0 104 HO2 H_OXY 0 0.0000 -1.4590 0.1590 13.5830 103 0 0 0 0 105 C3 C_BYL 0 0.0000 -3.8120 -0.3420 11.4370 102 106 107 0 0 106 O31 O_BYL 0 0.0000 -3.7390 -1.5480 11.4440 105 0 0 0 0 107 O32 O_HYD 0 0.0000 -4.7130 0.2700 10.6540 105 108 0 0 0 108 HO32 H_OXY 0 0.0000 -5.3040 -0.2520 10.0960 107 0 0 0 0 109 C4 C_ALI 0 0.0000 -3.7200 1.3090 13.2840 102 110 111 113 0 110 H41 H_ALI 0 0.0000 -3.0530 1.8990 13.9130 109 0 0 0 112 111 H42 H_ALI 0 0.0000 -4.3760 1.9760 12.7240 109 0 0 0 112 112 Q12 PSEUD 0 0.0000 -3.7145 1.9375 13.3185 0 0 0 0 0 113 C5 C_BYL 0 0.0000 -4.5500 0.3960 14.1490 109 114 115 0 0 114 O51 O_BYL 0 0.0000 -4.4860 -0.8000 13.9990 113 0 0 0 0 115 O52 O_HYD 0 0.0000 -5.3620 0.9130 15.0850 113 116 0 0 0 116 HO52 H_OXY 0 0.0000 -5.8940 0.3280 15.6400 115 0 0 0 0