REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CARBOXYMYCOBACTIN T" RESIDUE CM2 26 122 1 122 1 CHI1 0 0 0.0000 8 16 23 24 27 2 CHI2 0 0 0.0000 16 23 24 25 27 3 CHI3 0 0 0.0000 2 1 29 30 62 4 CHI4 0 0 0.0000 1 29 30 31 62 5 CHI5 0 0 0.0000 29 30 31 32 42 6 CHI6 0 0 0.0000 30 31 32 33 39 7 CHI7 0 0 0.0000 31 32 33 34 36 8 CHI8 0 0 0.0000 29 30 43 44 62 9 CHI9 0 0 0.0000 30 43 44 45 61 10 CHI10 0 0 0.0000 43 44 45 46 56 11 CHI11 0 0 0.0000 44 45 46 47 55 12 CHI12 0 0 0.0000 45 46 47 48 54 13 CHI13 0 0 0.0000 46 47 48 49 51 14 CHI14 0 0 0.0000 43 44 57 58 60 15 CHI15 0 0 0.0000 68 69 72 73 74 16 PHI1 0 0 0.0000 2 1 88 89 0 17 PHI2 0 0 0.0000 1 88 89 91 0 18 PHI3 0 0 0.0000 88 89 91 93 0 19 PHI4 0 0 0.0000 91 93 95 99 0 20 PHI5 0 0 0.0000 93 95 99 103 0 21 PHI6 0 0 0.0000 95 99 103 107 0 22 PHI7 0 0 0.0000 99 103 107 111 0 23 PHI8 0 0 0.0000 103 107 111 115 0 24 PHI9 0 0 0.0000 107 111 115 119 0 25 PHI10 0 0 0.0000 111 115 119 121 0 26 PHI11 0 0 0.0000 115 119 121 122 0 1 FE X_XXX 0 0.0000 -0.7590 -1.8910 1.0900 2 29 63 88 0 2 O2 O_EST 0 0.0000 -0.0280 -0.3530 1.5920 1 3 0 0 0 3 C3 C_ARO 0 0.0000 1.2960 -0.4960 1.8270 2 4 8 0 0 4 C4 C_ARO 0 0.0000 1.8760 -1.6820 2.2300 3 5 7 0 0 5 C5 C_ARO 0 0.0000 3.2470 -1.7560 2.4010 4 6 10 0 0 6 H5 H_ALI 0 0.0000 3.6980 -2.6850 2.7190 5 0 0 0 14 7 H4 H_ALI 0 0.0000 1.2680 -2.5540 2.4210 4 0 0 0 13 8 C8 C_ARO 0 0.0000 2.0980 0.6330 1.6320 3 9 16 0 0 9 C7 C_ARO 0 0.0000 3.4600 0.5500 1.7860 8 10 12 0 0 10 C6 C_ARO 0 0.0000 4.0410 -0.6470 2.1710 5 9 11 0 0 11 H6 H_ALI 0 0.0000 5.1120 -0.7100 2.2950 10 0 0 0 0 12 H7 H_ALI 0 0.0000 4.0850 1.4140 1.6080 9 0 0 0 14 13 Q18 PSEUD 0 0.0000 1.2680 -2.5540 2.4210 0 0 0 0 15 14 Q19 PSEUD 0 0.0000 3.8915 -0.6355 2.1635 0 0 0 0 15 15 QQA PSEUD 0 0.0000 2.5798 -1.5947 2.2923 0 0 0 0 0 16 C10 C_ALI 0 0.0000 1.4060 1.9050 1.2450 8 17 23 28 0 17 N11 N_AMO 0 0.0000 0.1860 2.0910 2.1200 16 18 22 0 0 18 C12 C_ALI 0 0.0000 -0.1440 3.5360 1.8530 17 19 21 24 0 19 C15 C_BYL 0 0.0000 -1.2330 3.5840 0.8190 18 20 70 0 0 20 O16 O_BYL 0 0.0000 -1.9990 2.6440 0.7550 19 0 0 0 0 21 H12 H_ALI 0 0.0000 -0.4620 4.0100 2.7790 18 0 0 0 0 22 H11 H_AMI 0 0.0000 0.6090 2.1380 3.0700 17 0 0 0 0 23 O14 O_EST 0 0.0000 2.1770 3.0980 1.5110 16 24 0 0 0 24 C13 C_ALI 0 0.0000 1.1790 4.1440 1.3520 18 23 25 26 0 25 H131 H_ALI 0 0.0000 1.1020 4.4190 0.3010 24 0 0 0 27 26 H132 H_ALI 0 0.0000 1.4540 5.0100 1.9520 24 0 0 0 27 27 Q1 PSEUD 0 0.0000 1.2780 4.7145 1.1265 0 0 0 0 0 28 H10 H_ALI 0 0.0000 1.1110 1.8840 0.1990 16 0 0 0 0 29 O36 O_EST 0 0.0000 -1.6190 -3.4230 0.7440 1 30 0 0 0 30 N35 N_AMO 0 0.0000 -2.9120 -3.0640 0.2720 29 31 43 0 0 31 C34 C_ALI 0 0.0000 -3.2070 -3.2490 -1.1650 30 32 40 41 0 32 C33 C_ALI 0 0.0000 -4.1710 -4.4310 -1.2990 31 33 37 38 0 33 C32 C_ALI 0 0.0000 -5.5990 -4.0250 -1.0340 32 34 35 57 0 34 H321 H_ALI 0 0.0000 -6.2320 -4.8990 -1.2260 33 0 0 0 36 35 H322 H_ALI 0 0.0000 -5.8860 -3.2710 -1.7700 33 0 0 0 36 36 Q2 PSEUD 0 0.0000 -6.0590 -4.0850 -1.4980 0 0 0 0 0 37 H331 H_ALI 0 0.0000 -3.8810 -5.2030 -0.5860 32 0 0 0 39 38 H332 H_ALI 0 0.0000 -4.0920 -4.8360 -2.3090 32 0 0 0 39 39 Q3 PSEUD 0 0.0000 -3.9865 -5.0195 -1.4475 0 0 0 0 0 40 H341 H_ALI 0 0.0000 -2.2770 -3.4870 -1.6880 31 0 0 0 42 41 H342 H_ALI 0 0.0000 -3.6370 -2.3490 -1.5840 31 0 0 0 42 42 Q4 PSEUD 0 0.0000 -2.9570 -2.9180 -1.6360 0 0 0 0 0 43 C37 C_BYL 0 0.0000 -3.8070 -2.5740 1.1160 30 44 62 0 0 44 C30 C_ALI 0 0.0000 -5.2160 -2.1990 0.6660 43 45 57 61 0 45 N29 N_AMO 0 0.0000 -5.2210 -1.2930 -0.4690 44 46 56 0 0 46 C27 C_BYL 0 0.0000 -5.3220 0.0440 -0.2840 45 47 55 0 0 47 C25 C_ALI 0 0.0000 -5.4280 0.9550 -1.4770 46 48 52 53 0 48 C22 C_ALI 0 0.0000 -5.5200 2.4140 -1.0290 47 49 50 74 0 49 H221 H_ALI 0 0.0000 -5.6300 2.4690 0.0500 48 0 0 0 51 50 H222 H_ALI 0 0.0000 -6.3880 2.8780 -1.5040 48 0 0 0 51 51 Q5 PSEUD 0 0.0000 -6.0090 2.6735 -0.7270 0 0 0 0 0 52 H251 H_ALI 0 0.0000 -6.3170 0.6970 -2.0540 47 0 0 0 54 53 H252 H_ALI 0 0.0000 -4.5450 0.8280 -2.1080 47 0 0 0 54 54 Q6 PSEUD 0 0.0000 -5.4310 0.7625 -2.0810 0 0 0 0 0 55 O28 O_BYL 0 0.0000 -5.3270 0.4960 0.8390 46 0 0 0 0 56 H29 H_AMI 0 0.0000 -5.1800 -1.6280 -1.3790 45 0 0 0 0 57 C31 C_ALI 0 0.0000 -5.9550 -3.5090 0.3410 33 44 58 59 0 58 H311 H_ALI 0 0.0000 -5.6810 -4.2580 1.0830 57 0 0 0 60 59 H312 H_ALI 0 0.0000 -7.0280 -3.3290 0.3930 57 0 0 0 60 60 Q7 PSEUD 0 0.0000 -6.3545 -3.7935 0.7380 0 0 0 0 0 61 H30 H_ALI 0 0.0000 -5.7290 -1.7230 1.5110 44 0 0 0 0 62 O38 O_BYL 0 0.0000 -3.5030 -2.4120 2.2850 43 0 0 0 0 63 O44 O_EST 0 0.0000 -1.8150 -1.0880 -0.1580 1 64 0 0 0 64 N43 N_AMO 0 0.0000 -0.8080 -0.7170 -1.1960 63 65 89 0 0 65 C42 C_ALI 0 0.0000 -0.5730 0.7250 -0.9520 64 66 85 86 0 66 C41 C_ALI 0 0.0000 -1.5230 1.5570 -1.8180 65 67 82 83 0 67 C40 C_ALI 0 0.0000 -0.8700 2.9130 -2.0990 66 68 79 80 0 68 C39 C_ALI 0 0.0000 -1.9210 3.9850 -2.3490 67 69 76 77 0 69 C18 C_ALI 0 0.0000 -2.4140 4.6250 -1.0570 68 70 72 75 0 70 N17 N_AMO 0 0.0000 -1.3840 4.6210 -0.0200 19 69 71 0 0 71 H17 H_AMI 0 0.0000 -0.7900 5.3920 0.0690 70 0 0 0 0 72 C19 C_BYL 0 0.0000 -3.6700 3.9320 -0.5920 69 73 74 0 0 73 O20 O_BYL 0 0.0000 -4.0940 4.1100 0.5250 72 0 0 0 0 74 O21 O_EST 0 0.0000 -4.3210 3.1210 -1.4420 48 72 0 0 0 75 H18 H_ALI 0 0.0000 -2.6750 5.6750 -1.2710 69 0 0 0 0 76 H391 H_ALI 0 0.0000 -1.4880 4.7630 -2.9840 68 0 0 0 78 77 H392 H_ALI 0 0.0000 -2.7650 3.5410 -2.8790 68 0 0 0 78 78 Q8 PSEUD 0 0.0000 -2.1265 4.1520 -2.9315 0 0 0 0 0 79 H401 H_ALI 0 0.0000 -0.2410 3.1940 -1.2580 67 0 0 0 81 80 H402 H_ALI 0 0.0000 -0.2390 2.8210 -2.9890 67 0 0 0 81 81 Q9 PSEUD 0 0.0000 -0.2400 3.0075 -2.1235 0 0 0 0 0 82 H411 H_ALI 0 0.0000 -1.7100 1.0370 -2.7580 66 0 0 0 84 83 H412 H_ALI 0 0.0000 -2.4620 1.7000 -1.2880 66 0 0 0 84 84 Q10 PSEUD 0 0.0000 -2.0860 1.3685 -2.0230 0 0 0 0 0 85 H421 H_ALI 0 0.0000 -0.7600 0.9400 0.0940 65 0 0 0 87 86 H422 H_ALI 0 0.0000 0.4520 0.9670 -1.2210 65 0 0 0 87 87 Q11 PSEUD 0 0.0000 -0.1540 0.9535 -0.5635 0 0 0 0 0 88 O46 O_EST 0 0.0000 0.5910 -2.3900 -0.0210 1 89 0 0 0 89 C45 C_ALI 0 0.0000 0.4940 -1.3620 -1.0240 64 88 90 91 0 90 H45 H_ALI 0 0.0000 1.2170 -0.5910 -0.7870 89 0 0 0 0 91 C47 C_BYL 0 0.0000 0.8710 -1.9680 -2.3480 89 92 93 0 0 92 H47 H_ALI 0 0.0000 0.2280 -2.7040 -2.8070 91 0 0 0 0 93 C48 C_BYL 0 0.0000 1.9790 -1.6030 -2.9440 91 94 95 0 0 94 H48 H_ALI 0 0.0000 2.1800 -1.9250 -3.9550 93 0 0 0 0 95 C49 C_ALI 0 0.0000 2.9730 -0.7330 -2.2180 93 96 97 99 0 96 H491 H_ALI 0 0.0000 2.6700 -0.6260 -1.1770 95 0 0 0 98 97 H492 H_ALI 0 0.0000 3.0090 0.2490 -2.6900 95 0 0 0 98 98 Q12 PSEUD 0 0.0000 2.8395 -0.1885 -1.9335 0 0 0 0 0 99 C50 C_ALI 0 0.0000 4.3580 -1.3800 -2.2820 95 100 101 103 0 100 H501 H_ALI 0 0.0000 4.6610 -1.4870 -3.3240 99 0 0 0 102 101 H502 H_ALI 0 0.0000 4.3230 -2.3620 -1.8110 99 0 0 0 102 102 Q13 PSEUD 0 0.0000 4.4920 -1.9245 -2.5675 0 0 0 0 0 103 C51 C_ALI 0 0.0000 5.3680 -0.4970 -1.5460 99 104 105 107 0 104 H511 H_ALI 0 0.0000 5.0650 -0.3890 -0.5050 103 0 0 0 106 105 H512 H_ALI 0 0.0000 5.4030 0.4850 -2.0170 103 0 0 0 106 106 Q14 PSEUD 0 0.0000 5.2340 0.0480 -1.2610 0 0 0 0 0 107 C52 C_ALI 0 0.0000 6.7530 -1.1430 -1.6100 103 108 109 111 0 108 H521 H_ALI 0 0.0000 7.0560 -1.2510 -2.6520 107 0 0 0 110 109 H522 H_ALI 0 0.0000 6.7180 -2.1260 -1.1390 107 0 0 0 110 110 Q15 PSEUD 0 0.0000 6.8870 -1.6885 -1.8955 0 0 0 0 0 111 C53 C_ALI 0 0.0000 7.7630 -0.2600 -0.8740 107 112 113 115 0 112 H531 H_ALI 0 0.0000 7.4600 -0.1530 0.1680 111 0 0 0 114 113 H532 H_ALI 0 0.0000 7.7980 0.7220 -1.3450 111 0 0 0 114 114 Q16 PSEUD 0 0.0000 7.6290 0.2845 -0.5885 0 0 0 0 0 115 C54 C_ALI 0 0.0000 9.1480 -0.9070 -0.9380 111 116 117 119 0 116 H541 H_ALI 0 0.0000 9.4510 -1.0150 -1.9790 115 0 0 0 118 117 H542 H_ALI 0 0.0000 9.1120 -1.8890 -0.4670 115 0 0 0 118 118 Q17 PSEUD 0 0.0000 9.2815 -1.4520 -1.2230 0 0 0 0 0 119 C55 C_BYL 0 0.0000 10.1420 -0.0370 -0.2130 115 120 121 0 0 120 O56 O_BYL 0 0.0000 9.7800 0.9940 0.3030 119 0 0 0 0 121 O57 O_HYD 0 0.0000 11.4300 -0.4080 -0.1390 119 122 0 0 0 122 H57 H_OXY 0 0.0000 12.0680 0.1500 0.3260 121 0 0 0 0