REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = S-4-NITROBUTYRYL-COA RESIDUE NBC 39 110 1 110 1 CHI1 0 0 0.0000 4 1 2 3 3 2 CHI2 0 0 0.0000 2 1 5 6 42 3 CHI3 0 0 0.0000 1 5 6 7 42 4 CHI4 0 0 0.0000 5 6 7 8 39 5 CHI5 0 0 0.0000 6 7 8 9 25 6 CHI6 0 0 0.0000 7 8 9 10 25 7 CHI7 0 0 0.0000 8 9 10 11 24 8 CHI8 0 0 0.0000 15 16 18 19 21 9 CHI9 0 0 0.0000 6 7 26 27 38 10 CHI10 0 0 0.0000 7 26 27 28 30 11 CHI11 0 0 0.0000 26 27 28 29 29 12 CHI12 0 0 0.0000 7 26 31 32 37 13 CHI13 0 0 0.0000 26 31 32 33 37 14 CHI14 0 0 0.0000 31 32 34 35 35 15 CHI15 0 0 0.0000 31 32 36 37 37 16 PHI1 0 0 0.0000 2 1 43 44 0 17 PHI2 0 0 0.0000 1 43 44 48 0 18 CHI16 0 0 0.0000 43 44 46 47 47 19 PHI3 0 0 0.0000 43 44 48 49 0 20 PHI4 0 0 0.0000 44 48 49 53 0 21 PHI5 0 0 0.0000 48 49 53 65 0 22 CHI17 0 0 0.0000 49 53 54 55 58 23 CHI18 0 0 0.0000 49 53 59 60 63 24 PHI6 0 0 0.0000 49 53 65 69 0 25 CHI19 0 0 0.0000 53 65 66 67 67 26 PHI7 0 0 0.0000 53 65 69 71 0 27 PHI8 0 0 0.0000 65 69 71 73 0 28 PHI9 0 0 0.0000 69 71 73 77 0 29 PHI10 0 0 0.0000 71 73 77 81 0 30 PHI11 0 0 0.0000 73 77 81 83 0 31 PHI12 0 0 0.0000 77 81 83 85 0 32 PHI13 0 0 0.0000 81 83 85 89 0 33 PHI14 0 0 0.0000 83 85 89 93 0 34 PHI15 0 0 0.0000 85 89 93 94 0 35 PHI16 0 0 0.0000 89 93 94 96 0 36 PHI17 0 0 0.0000 93 94 96 100 0 37 PHI18 0 0 0.0000 94 96 100 104 0 38 PHI19 0 0 0.0000 96 100 104 108 0 39 PHI20 0 0 0.0000 100 104 108 110 0 1 P31 P_ALI 0 0.0000 1.2810 1.8770 7.5500 2 4 5 43 0 2 O33 O_HYD 0 0.0000 0.9720 3.2460 8.3540 1 3 0 0 0 3 H28 H_OXY 0 0.0000 0.7280 3.1940 9.3030 2 0 0 0 0 4 O34 O_XXX 0 0.0000 2.1820 0.9220 8.2770 1 0 0 0 0 5 O23 O_EST 0 0.0000 -0.1810 1.2850 7.1850 1 6 0 0 0 6 C19 C_ALI 0 0.0000 -1.1210 2.0920 6.4990 5 7 40 41 0 7 C18 C_ALI 0 0.0000 -1.4840 1.4220 5.1860 6 8 26 39 0 8 O22 O_EST 0 0.0000 -0.2990 1.2190 4.3990 7 9 0 0 0 9 C15 C_ALI 0 0.0000 -0.4800 0.0290 3.6030 8 10 25 27 0 10 N9 N_AMO 0 0.0000 0.6720 -0.8570 3.7810 9 11 22 0 0 11 C4 C_ARO 0 0.0000 1.2260 -1.6820 2.8420 10 12 15 0 0 12 N3 N_AMO 0 0.0000 0.8340 -1.8530 1.5710 11 13 0 0 0 13 C2 C_ARO 0 0.0000 1.6260 -2.7530 0.9490 12 14 17 0 0 14 H39 H_ALI 0 0.0000 1.3830 -2.9550 -0.0880 13 0 0 0 0 15 C5 C_ARO 0 0.0000 2.2830 -2.3060 3.4850 11 16 23 0 0 16 C6 C_ARO 0 0.0000 3.0260 -3.2140 2.7370 15 17 18 0 0 17 N1 N_AMO 0 0.0000 2.6860 -3.4370 1.4440 13 16 0 0 0 18 N6 N_AMO 0 0.0000 4.1160 -3.8930 3.3080 16 19 20 0 0 19 H40 H_AMI 0 0.0000 4.9270 -3.3750 3.5890 18 0 0 0 21 20 H41 H_AMI 0 0.0000 4.1090 -4.8950 3.3420 18 0 0 0 21 21 Q1 PSEUD 0 0.0000 4.5180 -4.1350 3.4655 0 0 0 0 0 22 C8 C_ARO 0 0.0000 1.4020 -1.0120 4.9310 10 23 24 0 0 23 N7 N_AMO 0 0.0000 2.3810 -1.8800 4.7850 15 22 0 0 0 24 H38 H_ALI 0 0.0000 1.1720 -0.4690 5.8370 22 0 0 0 0 25 H37 H_ALI 0 0.0000 -0.4600 0.3160 2.5460 9 0 0 0 0 26 C17 C_ALI 0 0.0000 -2.0890 0.0390 5.3590 7 27 31 38 0 27 C16 C_ALI 0 0.0000 -1.8100 -0.6050 4.0140 9 26 28 30 0 28 O20 O_HYD 0 0.0000 -2.8110 -0.2590 3.0580 27 29 0 0 0 29 H35 H_OXY 0 0.0000 -2.3800 -0.2320 2.1860 28 0 0 0 0 30 H34 H_ALI 0 0.0000 -1.7850 -1.6970 4.0680 27 0 0 0 0 31 O21 O_EST 0 0.0000 -3.4610 0.0960 5.6820 26 32 0 0 0 32 P39 P_ALI 0 0.0000 -4.2780 -1.2930 5.7840 31 33 34 36 0 33 O40 O_XXX 0 0.0000 -4.3010 -2.1130 4.5280 32 0 0 0 0 34 O41 O_HYD 0 0.0000 -5.7270 -0.8490 6.3470 32 35 0 0 0 35 H33 H_OXY 0 0.0000 -6.4300 -1.5270 6.4340 34 0 0 0 0 36 O42 O_HYD 0 0.0000 -3.5890 -2.0130 7.0580 32 37 0 0 0 37 H32 H_OXY 0 0.0000 -3.8480 -2.9330 7.2810 36 0 0 0 0 38 H31 H_ALI 0 0.0000 -1.5590 -0.5110 6.1460 26 0 0 0 0 39 H36 H_ALI 0 0.0000 -2.1580 2.0830 4.6290 7 0 0 0 0 40 H29 H_ALI 0 0.0000 -2.0090 2.2110 7.1270 6 0 0 0 42 41 H30 H_ALI 0 0.0000 -0.6760 3.0750 6.3180 6 0 0 0 42 42 Q2 PSEUD 0 0.0000 -1.3425 2.6430 6.7225 0 0 0 0 0 43 O32 O_EST 0 0.0000 1.8700 2.4010 6.1390 1 44 0 0 0 44 P35 P_ALI 0 0.0000 3.2190 3.2200 5.7910 43 45 46 48 0 45 O36 O_XXX 0 0.0000 3.3330 4.5650 6.4480 44 0 0 0 0 46 O37 O_HYD 0 0.0000 4.3980 2.1760 6.1620 44 47 0 0 0 47 H27 H_OXY 0 0.0000 4.6390 2.0460 7.1040 46 0 0 0 0 48 O38 O_EST 0 0.0000 3.1730 3.2160 4.1770 44 49 0 0 0 49 C46 C_ALI 0 0.0000 4.2800 3.7620 3.4690 48 50 51 53 0 50 H25 H_ALI 0 0.0000 4.3930 4.8030 3.7890 49 0 0 0 52 51 H26 H_ALI 0 0.0000 5.1760 3.2100 3.7720 49 0 0 0 52 52 Q3 PSEUD 0 0.0000 4.7845 4.0065 3.7805 0 0 0 0 0 53 C45 C_ALI 0 0.0000 4.0610 3.6720 1.9390 49 54 59 65 0 54 C53 C_ALI 0 0.0000 2.7780 4.4560 1.5720 53 55 56 57 0 55 H22 H_ALI 0 0.0000 2.5590 4.3710 0.5010 54 0 0 0 58 56 H23 H_ALI 0 0.0000 2.8760 5.5230 1.8010 54 0 0 0 58 57 H24 H_ALI 0 0.0000 1.9070 4.0810 2.1220 54 0 0 0 58 58 Q4 PSEUD 0 0.0000 2.4473 4.6583 1.4747 0 0 0 0 64 59 C57 C_ALI 0 0.0000 5.2390 4.3430 1.2040 53 60 61 62 0 60 H19 H_ALI 0 0.0000 5.2800 5.4190 1.4090 59 0 0 0 63 61 H20 H_ALI 0 0.0000 5.1460 4.2220 0.1190 59 0 0 0 63 62 H21 H_ALI 0 0.0000 6.2000 3.9210 1.5130 59 0 0 0 63 63 Q5 PSEUD 0 0.0000 5.5420 4.5207 1.0137 0 0 0 0 64 64 QQA PSEUD 0 0.0000 3.9947 4.5895 1.2442 0 0 0 0 0 65 C44 C_ALI 0 0.0000 3.8860 2.1940 1.4810 53 66 68 69 0 66 O52 O_HYD 0 0.0000 3.6920 2.1480 0.0700 65 67 0 0 0 67 H17 H_OXY 0 0.0000 4.5710 2.2320 -0.3330 66 0 0 0 0 68 H18 H_ALI 0 0.0000 2.9890 1.7640 1.9440 65 0 0 0 0 69 C43 C_BYL 0 0.0000 5.0860 1.2980 1.7820 65 70 71 0 0 70 O51 O_BYL 0 0.0000 6.0410 1.1990 1.0140 69 0 0 0 0 71 N68 N_AMI 0 0.0000 4.9800 0.6500 3.0020 69 72 73 0 0 72 H16 H_AMI 0 0.0000 4.1640 0.8140 3.5850 71 0 0 0 0 73 C62 C_ALI 0 0.0000 6.0020 -0.2310 3.5180 71 74 75 77 0 74 H14 H_ALI 0 0.0000 5.5330 -1.0120 4.1270 73 0 0 0 76 75 H15 H_ALI 0 0.0000 6.5060 -0.7280 2.6820 73 0 0 0 76 76 Q6 PSEUD 0 0.0000 6.0195 -0.8700 3.4045 0 0 0 0 0 77 C61 C_ALI 0 0.0000 7.0000 0.5660 4.3460 73 78 79 81 0 78 H12 H_ALI 0 0.0000 6.4870 1.0550 5.1840 77 0 0 0 80 79 H13 H_ALI 0 0.0000 7.4520 1.3560 3.7330 77 0 0 0 80 80 Q7 PSEUD 0 0.0000 6.9695 1.2055 4.4585 0 0 0 0 0 81 C69 C_BYL 0 0.0000 8.1130 -0.3000 4.9070 77 82 83 0 0 82 O72 O_BYL 0 0.0000 8.1880 -1.5100 4.7080 81 0 0 0 0 83 N71 N_AMI 0 0.0000 9.0110 0.4450 5.6580 81 84 85 0 0 84 H11 H_AMI 0 0.0000 8.8510 1.4430 5.7560 83 0 0 0 0 85 C74 C_ALI 0 0.0000 10.1630 -0.1370 6.3050 83 86 87 89 0 86 H91 H_ALI 0 0.0000 10.4690 -0.9910 5.6910 85 0 0 0 88 87 H10 H_ALI 0 0.0000 10.9730 0.5990 6.2790 85 0 0 0 88 88 Q8 PSEUD 0 0.0000 10.7210 -0.1960 5.9850 0 0 0 0 0 89 C73 C_ALI 0 0.0000 9.8730 -0.6140 7.7220 85 90 91 93 0 90 H71 H_ALI 0 0.0000 9.0880 -1.3770 7.7240 89 0 0 0 92 91 H81 H_ALI 0 0.0000 10.7770 -1.0570 8.1520 89 0 0 0 92 92 Q9 PSEUD 0 0.0000 9.9325 -1.2170 7.9380 0 0 0 0 0 93 S81 S_RED 0 0.0000 9.3560 0.7470 8.8130 89 94 0 0 0 94 C1' C_BYL 0 0.0000 9.1930 -0.1240 10.3400 93 95 96 0 0 95 O1' O_BYL 0 0.0000 9.3840 -1.3290 10.4420 94 0 0 0 0 96 C2' C_ALI 0 0.0000 8.7580 0.7720 11.4840 94 97 98 100 0 97 H51 H_ALI 0 0.0000 9.1520 1.7840 11.3330 96 0 0 0 99 98 H61 H_ALI 0 0.0000 7.6630 0.8240 11.4600 96 0 0 0 99 99 Q10 PSEUD 0 0.0000 8.4075 1.3040 11.3965 0 0 0 0 0 100 C3' C_ALI 0 0.0000 9.1960 0.2530 12.8540 96 101 102 104 0 101 H31A H_ALI 0 0.0000 8.7670 -0.7400 13.0390 100 0 0 0 103 102 H41A H_ALI 0 0.0000 8.7820 0.9170 13.6240 100 0 0 0 103 103 Q11 PSEUD 0 0.0000 8.7745 0.0885 13.3315 0 0 0 0 0 104 C4' C_ALI 0 0.0000 10.7100 0.2070 12.9910 100 105 106 108 0 105 H11A H_ALI 0 0.0000 11.1720 1.1910 12.8690 104 0 0 0 107 106 H21A H_ALI 0 0.0000 11.1800 -0.5140 12.3190 104 0 0 0 107 107 Q12 PSEUD 0 0.0000 11.1760 0.3385 12.5940 0 0 0 0 0 108 N5' N_AMI 0 0.0000 11.0260 -0.2350 14.3600 104 109 110 0 0 109 O2' O_XXX 0 0.0000 11.1120 -1.4590 14.5620 108 0 0 0 0 110 O3' O_XXX 0 0.0000 11.1700 0.6390 15.2320 108 0 0 0 0