REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "CARBOXYMYCOBACTIN S" RESIDUE CM1 28 125 1 125 1 CHI1 0 0 0.0000 8 16 22 23 26 2 CHI2 0 0 0.0000 16 22 23 24 26 3 CHI3 0 0 0.0000 2 1 27 28 65 4 CHI4 0 0 0.0000 1 27 28 29 65 5 CHI5 0 0 0.0000 27 28 29 30 40 6 CHI6 0 0 0.0000 28 29 30 31 37 7 CHI7 0 0 0.0000 29 30 31 32 34 8 CHI8 0 0 0.0000 27 28 41 42 65 9 CHI9 0 0 0.0000 28 41 42 43 64 10 CHI10 0 0 0.0000 41 42 43 44 59 11 CHI11 0 0 0.0000 42 43 44 45 58 12 CHI12 0 0 0.0000 43 44 45 46 55 13 CHI13 0 0 0.0000 44 45 46 47 52 14 CHI14 0 0 0.0000 45 46 47 48 51 15 CHI15 0 0 0.0000 43 44 56 57 57 16 CHI16 0 0 0.0000 41 42 60 61 63 17 CHI17 0 0 0.0000 71 72 75 76 77 18 PHI1 0 0 0.0000 2 1 91 92 0 19 PHI2 0 0 0.0000 1 91 92 94 0 20 PHI3 0 0 0.0000 91 92 94 96 0 21 PHI4 0 0 0.0000 94 96 98 102 0 22 PHI5 0 0 0.0000 96 98 102 106 0 23 PHI6 0 0 0.0000 98 102 106 110 0 24 PHI7 0 0 0.0000 102 106 110 114 0 25 PHI8 0 0 0.0000 106 110 114 118 0 26 PHI9 0 0 0.0000 110 114 118 122 0 27 PHI10 0 0 0.0000 114 118 122 125 0 28 CHI18 0 0 0.0000 118 122 123 124 124 1 FE X_XXX 0 0.0000 0.5270 1.8660 0.4090 2 27 66 91 0 2 O2 O_EST 0 0.0000 0.1820 2.1390 2.1430 1 3 0 0 0 3 C3 C_ARO 0 0.0000 -1.1570 2.0570 2.3260 2 4 8 0 0 4 C4 C_ARO 0 0.0000 -1.9550 3.1670 2.0800 3 5 7 0 0 5 C5 C_ARO 0 0.0000 -3.3160 3.1080 2.3030 4 6 10 0 0 6 H5 H_ALI 0 0.0000 -3.9320 3.9720 2.1030 5 0 0 0 14 7 H4 H_ALI 0 0.0000 -1.5090 4.0790 1.7140 4 0 0 0 13 8 C8 C_ARO 0 0.0000 -1.7470 0.8720 2.7840 3 9 16 0 0 9 C7 C_ARO 0 0.0000 -3.1230 0.8320 3.0210 8 10 12 0 0 10 C6 C_ARO 0 0.0000 -3.8980 1.9440 2.7780 5 9 11 0 0 11 H6 H_ALI 0 0.0000 -4.9630 1.9080 2.9560 10 0 0 0 0 12 H7 H_ALI 0 0.0000 -3.5790 -0.0730 3.3950 9 0 0 0 14 13 Q18 PSEUD 0 0.0000 -1.5090 4.0790 1.7140 0 0 0 0 15 14 Q19 PSEUD 0 0.0000 -3.7555 1.9495 2.7490 0 0 0 0 15 15 QQA PSEUD 0 0.0000 -2.6322 3.0143 2.2315 0 0 0 0 0 16 C10 C_BYL 0 0.0000 -0.9270 -0.3320 3.0260 8 17 22 0 0 17 N11 N_AMO 0 0.0000 0.3080 -0.4400 2.6420 16 18 0 0 0 18 C12 C_ALI 0 0.0000 0.7740 -1.8080 2.9570 17 19 21 23 0 19 C15 C_BYL 0 0.0000 1.4670 -2.3930 1.7450 18 20 73 0 0 20 O16 O_BYL 0 0.0000 1.8220 -1.6460 0.8600 19 0 0 0 0 21 H12 H_ALI 0 0.0000 1.4070 -1.8340 3.8310 18 0 0 0 0 22 O14 O_EST 0 0.0000 -1.4030 -1.4460 3.6260 16 23 0 0 0 23 C13 C_ALI 0 0.0000 -0.5730 -2.5450 3.1890 18 22 24 25 0 24 H131 H_ALI 0 0.0000 -0.9500 -2.9800 2.2650 23 0 0 0 26 25 H132 H_ALI 0 0.0000 -0.4780 -3.2990 3.9700 23 0 0 0 26 26 Q1 PSEUD 0 0.0000 -0.7140 -3.1395 3.1175 0 0 0 0 0 27 O36 O_EST 0 0.0000 1.6460 3.2590 0.3660 1 28 0 0 0 28 N35 N_AMO 0 0.0000 2.8630 2.8460 -0.2310 27 29 41 0 0 29 C34 C_ALI 0 0.0000 3.0190 3.0060 -1.6920 28 30 38 39 0 30 C33 C_ALI 0 0.0000 4.0080 4.1490 -1.9370 29 31 35 36 0 31 C32 C_ALI 0 0.0000 5.4410 3.6830 -1.8270 30 32 33 60 0 32 H321 H_ALI 0 0.0000 6.0870 4.5210 -2.1050 31 0 0 0 34 33 H322 H_ALI 0 0.0000 5.5960 2.9030 -2.5790 31 0 0 0 34 34 Q2 PSEUD 0 0.0000 5.8415 3.7120 -2.3420 0 0 0 0 0 35 H331 H_ALI 0 0.0000 3.8300 4.9360 -1.2040 30 0 0 0 37 36 H332 H_ALI 0 0.0000 3.8400 4.5520 -2.9370 30 0 0 0 37 37 Q3 PSEUD 0 0.0000 3.8350 4.7440 -2.0705 0 0 0 0 0 38 H341 H_ALI 0 0.0000 2.0530 3.2640 -2.1300 29 0 0 0 40 39 H342 H_ALI 0 0.0000 3.3880 2.0870 -2.1360 29 0 0 0 40 40 Q4 PSEUD 0 0.0000 2.7205 2.6755 -2.1330 0 0 0 0 0 41 C37 C_BYL 0 0.0000 3.8260 2.3500 0.5240 28 42 65 0 0 42 C30 C_ALI 0 0.0000 5.1460 1.8880 -0.0860 41 43 60 64 0 43 N29 N_AMO 0 0.0000 4.9380 1.0250 -1.2240 42 44 59 0 0 44 C27 C_ALI 0 0.0000 4.5060 -0.3080 -0.8310 43 45 56 58 0 45 C25 C_ALI 0 0.0000 5.6820 -1.0980 -0.2560 44 46 53 54 0 46 C22 C_ALI 0 0.0000 5.4080 -2.6000 -0.3090 45 47 52 77 0 47 C23 C_ALI 0 0.0000 5.9360 -3.1750 -1.6260 46 48 49 50 0 48 H231 H_ALI 0 0.0000 7.0050 -2.9810 -1.7050 47 0 0 0 51 49 H232 H_ALI 0 0.0000 5.7590 -4.2510 -1.6500 47 0 0 0 51 50 H233 H_ALI 0 0.0000 5.4190 -2.7040 -2.4620 47 0 0 0 51 51 Q5 PSEUD 0 0.0000 6.0610 -3.3120 -1.9390 0 0 0 0 0 52 H22 H_ALI 0 0.0000 5.9370 -3.0840 0.5200 46 0 0 0 0 53 H251 H_ALI 0 0.0000 5.8400 -0.8000 0.7840 45 0 0 0 55 54 H252 H_ALI 0 0.0000 6.5830 -0.8730 -0.8280 45 0 0 0 55 55 Q6 PSEUD 0 0.0000 6.2115 -0.8365 -0.0220 0 0 0 0 0 56 O28 O_HYD 0 0.0000 3.9910 -0.9800 -1.9860 44 57 0 0 0 57 H28 H_OXY 0 0.0000 4.6770 -0.9330 -2.6660 56 0 0 0 0 58 H27 H_ALI 0 0.0000 3.7160 -0.2400 -0.0790 44 0 0 0 0 59 H29 H_AMI 0 0.0000 5.6250 1.0480 -1.9100 43 0 0 0 0 60 C31 C_ALI 0 0.0000 5.9200 3.1510 -0.5000 31 42 61 62 0 61 H311 H_ALI 0 0.0000 5.7870 3.9140 0.2660 60 0 0 0 63 62 H312 H_ALI 0 0.0000 6.9800 2.9020 -0.5750 60 0 0 0 63 63 Q7 PSEUD 0 0.0000 6.3835 3.4080 -0.1545 0 0 0 0 0 64 H30 H_ALI 0 0.0000 5.7190 1.3750 0.6930 42 0 0 0 0 65 O38 O_BYL 0 0.0000 3.6680 2.2610 1.7250 41 0 0 0 0 66 O44 O_EST 0 0.0000 1.2020 1.1130 -1.0830 1 67 0 0 0 67 N43 N_AMO 0 0.0000 0.5000 -0.1840 -1.1990 66 68 92 0 0 68 C42 C_ALI 0 0.0000 0.7760 -0.8010 -2.4770 67 69 88 89 0 69 C41 C_ALI 0 0.0000 0.5590 -2.3150 -2.4010 68 70 85 86 0 70 C40 C_ALI 0 0.0000 1.7170 -2.9630 -1.6360 69 71 82 83 0 71 C39 C_ALI 0 0.0000 1.1740 -4.0620 -0.7290 70 72 79 80 0 72 C18 C_ALI 0 0.0000 2.1040 -4.3770 0.4320 71 73 75 78 0 73 N17 N_AMO 0 0.0000 1.6620 -3.7160 1.6550 19 72 74 0 0 74 H17 H_AMI 0 0.0000 1.5040 -4.2640 2.4490 73 0 0 0 0 75 C19 C_BYL 0 0.0000 3.5410 -4.0820 0.1320 72 76 77 0 0 76 O20 O_BYL 0 0.0000 4.3350 -5.0020 0.1800 75 0 0 0 0 77 O21 O_EST 0 0.0000 3.9890 -2.8610 -0.1730 46 75 0 0 0 78 H18 H_ALI 0 0.0000 2.0310 -5.4710 0.6180 72 0 0 0 0 79 H391 H_ALI 0 0.0000 0.1990 -3.7540 -0.3380 71 0 0 0 81 80 H392 H_ALI 0 0.0000 1.0240 -4.9690 -1.3260 71 0 0 0 81 81 Q8 PSEUD 0 0.0000 0.6115 -4.3615 -0.8320 0 0 0 0 0 82 H401 H_ALI 0 0.0000 2.4190 -3.3930 -2.3520 70 0 0 0 84 83 H402 H_ALI 0 0.0000 2.2200 -2.2010 -1.0460 70 0 0 0 84 84 Q9 PSEUD 0 0.0000 2.3195 -2.7970 -1.6990 0 0 0 0 0 85 H411 H_ALI 0 0.0000 -0.3780 -2.5200 -1.8820 69 0 0 0 87 86 H412 H_ALI 0 0.0000 0.5150 -2.7270 -3.4090 69 0 0 0 87 87 Q10 PSEUD 0 0.0000 0.0685 -2.6235 -2.6455 0 0 0 0 0 88 H421 H_ALI 0 0.0000 0.1620 -0.3850 -3.2540 68 0 0 0 90 89 H422 H_ALI 0 0.0000 1.8250 -0.6050 -2.7000 68 0 0 0 90 90 Q11 PSEUD 0 0.0000 0.9935 -0.4950 -2.9770 0 0 0 0 0 91 O46 O_EST 0 0.0000 -0.9600 0.8770 0.2180 1 92 0 0 0 92 C45 C_ALI 0 0.0000 -0.9050 0.2490 -1.0770 67 91 93 94 0 93 H45 H_ALI 0 0.0000 -1.5580 -0.6040 -1.1310 92 0 0 0 0 94 C47 C_BYL 0 0.0000 -1.2300 1.2820 -2.1210 92 95 96 0 0 95 H47 H_ALI 0 0.0000 -0.5450 2.0960 -2.3060 94 0 0 0 0 96 C48 C_BYL 0 0.0000 -2.3440 1.1940 -2.8040 94 97 98 0 0 97 H48 H_ALI 0 0.0000 -2.5290 1.8720 -3.6240 96 0 0 0 0 98 C49 C_ALI 0 0.0000 -3.3670 0.1460 -2.4470 96 99 100 102 0 99 H491 H_ALI 0 0.0000 -3.4390 -0.5820 -3.2550 98 0 0 0 101 100 H492 H_ALI 0 0.0000 -3.0650 -0.3580 -1.5290 98 0 0 0 101 101 Q12 PSEUD 0 0.0000 -3.2520 -0.4700 -2.3920 0 0 0 0 0 102 C50 C_ALI 0 0.0000 -4.7280 0.8130 -2.2380 98 103 104 106 0 103 H501 H_ALI 0 0.0000 -4.6560 1.5420 -1.4300 102 0 0 0 105 104 H502 H_ALI 0 0.0000 -5.0300 1.3180 -3.1560 102 0 0 0 105 105 Q13 PSEUD 0 0.0000 -4.8430 1.4300 -2.2930 0 0 0 0 0 106 C51 C_ALI 0 0.0000 -5.7670 -0.2500 -1.8750 102 107 108 110 0 107 H511 H_ALI 0 0.0000 -5.8390 -0.9780 -2.6830 106 0 0 0 109 108 H512 H_ALI 0 0.0000 -5.4650 -0.7540 -0.9570 106 0 0 0 109 109 Q14 PSEUD 0 0.0000 -5.6520 -0.8660 -1.8200 0 0 0 0 0 110 C52 C_ALI 0 0.0000 -7.1280 0.4170 -1.6670 106 111 112 114 0 111 H521 H_ALI 0 0.0000 -7.0560 1.1450 -0.8590 110 0 0 0 113 112 H522 H_ALI 0 0.0000 -7.4300 0.9220 -2.5840 110 0 0 0 113 113 Q15 PSEUD 0 0.0000 -7.2430 1.0335 -1.7215 0 0 0 0 0 114 C53 C_ALI 0 0.0000 -8.1660 -0.6460 -1.3040 110 115 116 118 0 115 H531 H_ALI 0 0.0000 -8.2390 -1.3740 -2.1110 114 0 0 0 117 116 H532 H_ALI 0 0.0000 -7.8640 -1.1500 -0.3860 114 0 0 0 117 117 Q16 PSEUD 0 0.0000 -8.0515 -1.2620 -1.2485 0 0 0 0 0 118 C54 C_ALI 0 0.0000 -9.5270 0.0210 -1.0950 114 119 120 122 0 119 H541 H_ALI 0 0.0000 -9.4550 0.7490 -0.2870 118 0 0 0 121 120 H542 H_ALI 0 0.0000 -9.8290 0.5250 -2.0130 118 0 0 0 121 121 Q17 PSEUD 0 0.0000 -9.6420 0.6370 -1.1500 0 0 0 0 0 122 C55 C_BYL 0 0.0000 -10.5500 -1.0260 -0.7370 118 123 125 0 0 123 O56 O_HYD 0 0.0000 -11.8240 -0.6700 -0.5080 122 124 0 0 0 124 H56 H_OXY 0 0.0000 -12.4800 -1.3420 -0.2780 123 0 0 0 0 125 O57 O_BYL 0 0.0000 -10.2240 -2.1870 -0.6580 122 0 0 0 0