REMARK This residue is converted from PDB Protein Databank automatically.The original name of this chemical component in PDB is = "NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT" RESIDUE NAQ 31 92 1 92 1 CHI1 0 0 0.0000 2 1 3 4 4 2 CHI2 0 0 0.0000 2 1 5 6 37 3 CHI3 0 0 0.0000 1 5 6 7 37 4 CHI4 0 0 0.0000 5 6 7 8 34 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 17 18 20 9 CHI9 0 0 0.0000 6 7 26 27 33 10 CHI10 0 0 0.0000 7 26 27 28 28 11 CHI11 0 0 0.0000 7 26 29 30 32 12 CHI12 0 0 0.0000 26 29 30 31 31 13 PHI1 0 0 0.0000 2 1 38 39 0 14 PHI2 0 0 0.0000 1 38 39 42 0 15 PHI3 0 0 0.0000 38 39 42 43 0 16 PHI4 0 0 0.0000 39 42 43 47 0 17 PHI5 0 0 0.0000 42 43 47 57 0 18 CHI13 0 0 0.0000 43 47 48 49 55 19 CHI14 0 0 0.0000 47 48 49 50 50 20 CHI15 0 0 0.0000 47 48 51 52 54 21 CHI16 0 0 0.0000 48 51 52 53 53 22 PHI6 0 0 0.0000 43 47 57 58 0 23 PHI7 0 0 0.0000 47 57 58 60 0 24 PHI8 0 0 0.0000 57 58 60 65 0 25 CHI17 0 0 0.0000 65 67 68 69 73 26 CHI18 0 0 0.0000 67 68 70 71 73 27 PHI9 0 0 0.0000 62 74 75 82 0 28 CHI19 0 0 0.0000 74 75 76 77 80 29 PHI10 0 0 0.0000 74 75 82 84 0 30 PHI11 0 0 0.0000 75 82 84 88 0 31 PHI12 0 0 0.0000 82 84 88 91 0 1 PA P_ALI 0 0.0000 -1.9550 0.3930 0.7690 2 3 5 38 0 2 O1A O_XXX 0 0.0000 -2.4340 -0.5780 1.7780 1 0 0 0 0 3 O2A O_HYD 0 0.0000 -1.1890 1.6020 1.5080 1 4 0 0 0 4 HOA2 H_OXY 0 0.0000 -0.8940 2.2100 0.8170 3 0 0 0 0 5 O5' O_EST 0 0.0000 -3.2100 0.9760 -0.0530 1 6 0 0 0 6 C5' C_ALI 0 0.0000 -4.1230 1.5090 0.9090 5 7 35 36 0 7 C4' C_ALI 0 0.0000 -5.3450 2.0820 0.1890 6 8 26 34 0 8 O4' O_EST 0 0.0000 -6.0870 1.0210 -0.4350 7 9 0 0 0 9 C1' C_ALI 0 0.0000 -7.4830 1.3860 -0.3660 8 10 25 29 0 10 N9A N_AMO 0 0.0000 -8.3330 0.2010 -0.5010 9 11 14 0 0 11 C8A C_ARO 0 0.0000 -7.9740 -1.0850 -0.2250 10 12 13 0 0 12 N7A N_AMO 0 0.0000 -8.9740 -1.8850 -0.4550 11 15 0 0 0 13 H8A H_ALI 0 0.0000 -7.0030 -1.3940 0.1330 11 0 0 0 0 14 C4A C_ARO 0 0.0000 -9.6390 0.1820 -0.9220 10 15 21 0 0 15 C5A C_ARO 0 0.0000 -10.0360 -1.1660 -0.8930 12 14 16 0 0 16 C6A C_ARO 0 0.0000 -11.3480 -1.4800 -1.2860 15 17 23 0 0 17 N6A N_AMO 0 0.0000 -11.7970 -2.7890 -1.2720 16 18 19 0 0 18 H6A1 H_AMI 0 0.0000 -11.2040 -3.5020 -0.9890 17 0 0 0 20 19 H6A2 H_AMI 0 0.0000 -12.7050 -2.9920 -1.5460 17 0 0 0 20 20 Q1 PSEUD 0 0.0000 -11.9545 -3.2470 -1.2675 0 0 0 0 0 21 N3A N_AMO 0 0.0000 -10.5080 1.1020 -1.3260 14 22 0 0 0 22 C2A C_ARO 0 0.0000 -11.7270 0.7620 -1.6860 21 23 24 0 0 23 N1A N_AMO 0 0.0000 -12.1470 -0.4900 -1.6700 16 22 0 0 0 24 H2A H_ALI 0 0.0000 -12.4100 1.5350 -2.0060 22 0 0 0 0 25 H1' H_ALI 0 0.0000 -7.7260 2.1200 -1.1340 9 0 0 0 0 26 C3' C_ALI 0 0.0000 -6.2800 2.7640 1.2060 7 27 29 33 0 27 O3' O_HYD 0 0.0000 -6.4460 4.1480 0.8950 26 28 0 0 0 28 HO'3 H_OXY 0 0.0000 -7.0860 4.5030 1.5270 27 0 0 0 0 29 C2' C_ALI 0 0.0000 -7.6250 2.0070 1.0470 9 26 30 32 0 30 O2' O_HYD 0 0.0000 -8.7290 2.9130 1.0970 29 31 0 0 0 31 HO'2 H_OXY 0 0.0000 -8.7620 3.2630 1.9980 30 0 0 0 0 32 H2' H_ALI 0 0.0000 -7.7280 1.2300 1.8040 29 0 0 0 0 33 H3' H_ALI 0 0.0000 -5.8940 2.6450 2.2190 26 0 0 0 0 34 H4' H_ALI 0 0.0000 -5.0270 2.8040 -0.5630 7 0 0 0 0 35 H5'1 H_ALI 0 0.0000 -4.4390 0.7160 1.5870 6 0 0 0 37 36 H5'2 H_ALI 0 0.0000 -3.6320 2.2990 1.4770 6 0 0 0 37 37 Q2 PSEUD 0 0.0000 -4.0355 1.5075 1.5320 0 0 0 0 0 38 OPP O_EST 0 0.0000 -0.9430 -0.3420 -0.2450 1 39 0 0 0 39 PN P_ALI 0 0.0000 -0.0330 -1.3310 0.6410 38 40 41 42 0 40 O1N O_XXX 0 0.0000 -0.8210 -2.6250 0.9420 39 0 0 0 0 41 O2N O_XXX 0 0.0000 0.3410 -0.6350 1.9690 39 0 0 0 0 42 O5B O_EST 0 0.0000 1.3090 -1.6960 -0.1700 39 43 0 0 0 43 C5B C_ALI 0 0.0000 2.1240 -2.4740 0.7090 42 44 45 47 0 44 H5A1 H_ALI 0 0.0000 1.5880 -3.3790 0.9960 43 0 0 0 46 45 H5A2 H_ALI 0 0.0000 2.3570 -1.8910 1.6000 43 0 0 0 46 46 Q3 PSEUD 0 0.0000 1.9725 -2.6350 1.2980 0 0 0 0 0 47 C4B C_ALI 0 0.0000 3.4230 -2.8560 -0.0040 43 48 56 57 0 48 C3B C_ALI 0 0.0000 4.3010 -3.7390 0.9100 47 49 51 55 0 49 O3B O_HYD 0 0.0000 4.1360 -5.1200 0.5810 48 50 0 0 0 50 HOA3 H_OXY 0 0.0000 4.7060 -5.6200 1.1810 49 0 0 0 0 51 C2B C_ALI 0 0.0000 5.7450 -3.2770 0.6030 48 52 54 58 0 52 O2B O_HYD 0 0.0000 6.5160 -4.3600 0.0780 51 53 0 0 0 53 HOB2 H_OXY 0 0.0000 6.5410 -5.0430 0.7630 52 0 0 0 0 54 H2B H_ALI 0 0.0000 6.2160 -2.8740 1.5000 51 0 0 0 0 55 H3B H_ALI 0 0.0000 4.0580 -3.5650 1.9580 48 0 0 0 0 56 H4B H_ALI 0 0.0000 3.2040 -3.3760 -0.9370 47 0 0 0 0 57 O4B O_EST 0 0.0000 4.2210 -1.6800 -0.2590 47 58 0 0 0 58 C1B C_ALI 0 0.0000 5.5660 -2.1680 -0.4570 51 57 59 60 0 59 H1B H_ALI 0 0.0000 5.6760 -2.5810 -1.4600 58 0 0 0 0 60 N1N N_AMI 0 0.0000 6.5360 -1.0930 -0.2400 58 61 65 0 0 61 C6N C_ARO 0 0.0000 6.3100 -0.2090 0.7140 60 62 64 0 0 62 C5N C_ARO 0 0.0000 7.1980 0.8240 0.9550 61 63 74 0 0 63 H5N H_ALI 0 0.0000 7.0020 1.5400 1.7390 62 0 0 0 0 64 H6N H_ALI 0 0.0000 5.4170 -0.2930 1.3150 61 0 0 0 0 65 C2N C_ARO 0 0.0000 7.6090 -1.0360 -1.0010 60 66 67 0 0 66 H2N H_ALI 0 0.0000 7.7590 -1.7780 -1.7710 65 0 0 0 0 67 C3N C_ARO 0 0.0000 8.5510 -0.0210 -0.8250 65 68 74 0 0 68 C7N C_BYL 0 0.0000 9.7550 0.0430 -1.6790 67 69 70 0 0 69 O7N O_BYL 0 0.0000 10.5090 0.9930 -1.5980 68 0 0 0 0 70 N7N N_AMO 0 0.0000 10.0180 -0.9520 -2.5490 68 71 72 0 0 71 H7N1 H_AMI 0 0.0000 9.4170 -1.7110 -2.6140 70 0 0 0 73 72 H7N2 H_AMI 0 0.0000 10.8080 -0.9100 -3.1100 70 0 0 0 73 73 Q4 PSEUD 0 0.0000 10.1125 -1.3105 -2.8620 0 0 0 0 0 74 C4N C_ARO 0 0.0000 8.3420 0.9280 0.1820 62 67 75 0 0 75 C4P C_ALI 0 0.0000 9.3320 2.0400 0.4150 74 76 81 82 0 76 C5P C_ALI 0 0.0000 9.4170 2.3420 1.9130 75 77 78 79 0 77 H5P1 H_ALI 0 0.0000 9.7410 1.4490 2.4460 76 0 0 0 80 78 H5P2 H_ALI 0 0.0000 10.1340 3.1460 2.0810 76 0 0 0 80 79 H5P3 H_ALI 0 0.0000 8.4370 2.6470 2.2780 76 0 0 0 80 80 Q5 PSEUD 0 0.0000 9.4373 2.4140 2.2683 0 0 0 0 0 81 H4P H_ALI 0 0.0000 10.3130 1.7340 0.0500 75 0 0 0 0 82 C3P C_BYL 0 0.0000 8.8840 3.2750 -0.3220 75 83 84 0 0 83 OP O_BYL 0 0.0000 7.7070 3.4770 -0.5020 82 0 0 0 0 84 C2P C_ALI 0 0.0000 9.9050 4.2580 -0.8350 82 85 86 88 0 85 H2P1 H_ALI 0 0.0000 10.5690 3.7580 -1.5400 84 0 0 0 87 86 H2P2 H_ALI 0 0.0000 10.4870 4.6470 0.0000 84 0 0 0 87 87 Q6 PSEUD 0 0.0000 10.5280 4.2025 -0.7700 0 0 0 0 0 88 C1P C_ALI 0 0.0000 9.1910 5.4130 -1.5410 84 89 90 91 0 89 H1P1 H_ALI 0 0.0000 9.9290 6.1240 -1.9120 88 0 0 0 92 90 H1P2 H_ALI 0 0.0000 8.6090 5.0240 -2.3760 88 0 0 0 92 91 H1P3 H_ALI 0 0.0000 8.5260 5.9130 -0.8360 88 0 0 0 92 92 Q7 PSEUD 0 0.0000 9.0213 5.6870 -1.7080 0 0 0 0 0