REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JAN-09 3FSD COMPND NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION IN NUTRIENT U COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM ATCC 11170; SOURCE 3 ORGANISM_TAXID: 269796; SOURCE 4 ATCC: 11170; SOURCE 5 GENE: RRU_A2386, YP_427473.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 26 8 HET UNL A 134 10 HET EDO A 135 4 HET EDO A 136 4 SITE 1 AC1 6 ASP A 46 HIS A 47 GLU A 105 CYS A 129 SITE 1 AC2 4 GLU A 19 VAL A 78 HOH A 168 HOH A 170 SITE 1 AC3 4 LEU A 42 ALA A 43 LYS A 52 ARG A 79 >ASP~A 14 31.46 9.48 -3.97 30.28 8.46 -5.46 30.87 8.97 -4.72 2 0 5.58 -999 ? C2 EDO A 135 >ILE~A 15 26.06 10.57 -1.97 25.50 10.65 -1.45 25.78 10.61 -1.71 3 0 5.86 -999 ? C1 EDO A 135 >ALA~A 16 27.85 6.18 -2.69 28.54 5.69 -4.05 28.20 5.94 -3.37 2 0 3.86 -999 ? C2 EDO A 135 >PHE~A 17 32.24 6.37 1.78 33.81 5.83 4.03 33.02 6.10 2.91 3 0 11.08 -999 ? O1 EDO A 135 >TYR~A 18 28.40 8.99 3.28 30.72 10.32 3.87 29.56 9.65 3.57 3 0 10.29 -999 ? O1 EDO A 135 >GLU~A 19 23.45 6.15 -0.75 21.45 5.68 -0.12 22.45 5.92 -0.43 2 0 -4.93 -999 ? O1 EDO A 135s >GLU~A 20 28.67 -0.10 0.44 27.14 -1.60 0.16 27.90 -0.85 0.30 2 0 8.18 -999 ? O1 EDO A 135 >ARG~A 21 30.59 4.88 5.76 30.76 6.90 8.02 30.67 5.89 6.89 2 0 13.71 -999 ? O1 EDO A 135 >LEU~A 22 23.18 3.70 4.94 21.39 4.38 6.01 22.29 4.04 5.48 3 0 9.73 -999 ? O1 EDO A 135 >ARG~A 23 23.79 -2.53 0.43 24.60 -5.48 0.13 24.20 -4.01 0.28 2 0 11.17 -999 ? O1 EDO A 135 >ALA~A 24 25.98 -2.37 5.63 27.51 -2.17 5.52 26.75 -2.27 5.58 2 0 12.25 -999 ? O1 EDO A 135 >ALA~A 25 24.88 -0.99 8.99 24.85 0.50 9.44 24.86 -0.25 9.22 2 0 11.66 -999 ? O7 UNL A 134 >MET?A 26 21.26 -1.93 8.29 19.13 0.92 5.87 20.19 -0.51 7.08 2 0 6.14 -999 ? O7 UNL A 134 >LEU~A 27 22.86 -5.66 5.71 22.24 -7.11 4.29 22.55 -6.39 5.00 3 0 9.96 -999 ? O7 UNL A 134 >THR~A 28 24.46 -6.16 9.92 26.43 -5.38 9.28 25.44 -5.77 9.60 2 0 13.34 -999 ? O7 UNL A 134 >GLY~A 29 22.42 -4.44 12.69 23.18 -4.24 12.46 22.80 -4.34 12.57 1 0 10.77 -999 ? O7 UNL A 134 >ASP~A 30 26.36 -1.80 12.46 27.90 -0.63 13.21 27.13 -1.22 12.83 2 0 15.59 -999 ? O7 UNL A 134 >LEU~A 31 22.85 -0.13 17.18 21.15 0.80 18.17 22.00 0.34 17.68 3 0 13.88 -999 ? O7 UNL A 134 >GLY~A 33 27.05 2.77 12.67 26.36 2.94 13.14 26.70 2.85 12.90 1 0 15.29 -999 ? O7 UNL A 134 >LEU~A 34 22.19 2.87 12.50 21.38 1.34 11.25 21.78 2.10 11.88 3 0 10.35 -999 ? O7 UNL A 134 >GLU~A 35 22.79 5.29 17.21 23.23 4.55 19.20 23.01 4.92 18.20 2 0 16.76 -999 ? O4 UNL A 134 >THR~A 36 26.60 7.91 13.26 28.69 7.47 13.32 27.65 7.69 13.29 2 0 18.00 -999 ? O1 EDO A 135 >LEU~A 37 24.80 6.82 8.93 26.30 5.78 7.65 25.55 6.30 8.29 3 0 12.40 -999 ? O1 EDO A 135 >LEU^A 38 20.57 8.54 11.47 19.89 6.73 10.47 20.23 7.63 10.97 3 0 11.01 -999 ? O4 UNL A 134 >ALA^A 39 21.24 13.12 11.76 21.01 14.32 10.79 21.13 13.72 11.27 2 0 15.91 -999 ? O4 UNL A 134 >ASP^A 40 20.08 14.51 16.29 21.76 13.48 17.09 20.92 13.99 16.69 2 0 18.09 -999 ? O4 UNL A 134 >ASP^A 41 16.96 17.29 12.82 18.41 17.63 11.27 17.69 17.46 12.05 2 0 17.45 -999 ? O4 UNL A 134 >LEU^A 42 16.41 11.42 11.28 16.30 9.74 9.91 16.35 10.58 10.59 3 0 -10.29 -999 ? O4 UNL A 134s >ALA^A 43 12.39 12.76 9.69 11.75 14.01 9.15 12.07 13.38 9.42 2 0 -12.00 -999 ? O4 UNL A 134s >PHE^A 44 13.07 7.22 7.49 13.59 5.54 5.34 13.33 6.38 6.41 3 0 4.90 -999 ? O4 UNL A 134 >VAL^A 45 8.51 8.25 6.59 7.18 9.44 5.36 7.85 8.85 5.97 3 0 7.76 -999 ? O4 UNL A 134 >ASP.A 46 7.81 3.83 8.34 5.86 3.81 9.14 6.83 3.82 8.74 2 0 -5.01 -999 ? O3 UNL A 134s >HIS.A 47 6.19 -0.29 5.53 5.91 -1.84 6.91 6.05 -1.06 6.22 3 0 -3.81 -999 ? O3 UNL A 134s >THR.A 48 2.65 3.02 6.39 2.63 2.04 8.26 2.64 2.53 7.32 2 0 6.87 -999 ? O3 UNL A 134 >GLY.A 49 3.26 6.78 5.95 3.37 6.42 6.63 3.31 6.60 6.29 1 0 8.49 -999 ? O3 UNL A 134 >CYH.A 50 4.10 7.34 9.63 2.43 5.57 10.89 3.26 6.46 10.26 2 0 9.16 -999 ? O10 UNL A 134 >VAL^A 51 6.79 9.97 10.31 6.86 12.05 9.58 6.82 11.01 9.94 3 0 10.21 -999 ? O4 UNL A 134 >LYS^A 52 9.50 8.67 12.59 6.23 4.72 14.05 7.86 6.70 13.32 2 0 -7.45 -999 ? O10 UNL A 134s >THR~A 53 12.33 10.43 14.48 11.50 10.79 16.44 11.91 10.61 15.46 2 0 12.32 -999 ? O4 UNL A 134 >LYS~A 54 15.88 9.10 14.68 22.10 10.05 15.54 18.99 9.57 15.11 2 0 15.54 -999 ? O4 UNL A 134 >GLN~A 55 16.44 8.79 19.79 18.19 7.54 19.57 17.32 8.17 19.68 2 0 14.77 -999 ? O4 UNL A 134 >THR~A 56 11.85 5.77 16.88 10.24 7.20 16.83 11.04 6.49 16.85 2 0 10.50 -999 ? O10 UNL A 134 >HIS~A 57 14.52 5.14 11.31 14.83 4.33 9.41 14.68 4.73 10.36 3 0 5.05 -999 ? O4 UNL A 134 >LEU~A 58 17.57 3.86 16.02 19.49 4.80 15.42 18.53 4.33 15.72 3 0 11.04 -999 ? O4 UNL A 134 >GLU~A 59 12.41 1.16 19.82 13.81 0.96 21.45 13.11 1.06 20.63 2 0 12.82 -999 ? O10 UNL A 134 >PRO~A 60 12.23 -0.56 14.67 13.63 -1.13 16.33 12.93 -0.85 15.50 3 0 7.02 -999 ? O10 UNL A 134 >TYR~A 61 17.96 -1.33 13.40 17.51 -1.09 10.66 17.74 -1.21 12.03 3 0 6.66 -999 ? O7 UNL A 134 >ARG~A 62 17.92 1.58 21.64 17.74 4.16 19.92 17.83 2.87 20.78 2 0 13.98 -999 ? O4 UNL A 134 >ALA~A 63 15.48 -3.84 20.63 13.99 -3.55 20.59 14.74 -3.69 20.61 2 0 12.24 -999 ? O9 UNL A 134 >GLY.A 64 16.49 -6.66 18.25 15.78 -6.26 18.25 16.13 -6.46 18.25 1 0 11.90 -999 ? O9 UNL A 134 >LEU.A 65 11.95 -5.56 17.18 10.51 -5.98 18.68 11.23 -5.77 17.93 3 0 9.53 -999 ? O9 UNL A 134 >LEU^A 66 14.17 -4.67 12.61 13.98 -4.16 10.48 14.07 -4.41 11.54 3 0 4.98 -999 ? O9 UNL A 134 >LYS^A 67 16.99 -8.24 11.68 21.36 -8.91 10.58 19.18 -8.58 11.13 2 0 10.96 -999 ? O7 UNL A 134 >LEU^A 68 18.07 -6.74 7.30 16.74 -5.20 6.68 17.40 -5.97 6.99 3 0 5.39 -999 ? O7 UNL A 134 >SER^A 69 18.94 -10.97 5.94 17.12 -12.44 5.20 18.03 -11.71 5.57 2 0 10.27 -999 ? O6 UNL A 134 >ARG^A 70 17.10 -10.82 -0.60 15.92 -11.65 -3.27 16.51 -11.23 -1.93 2 0 12.74 -999 ? O6 UNL A 134 >LEU^A 71 19.51 -4.84 2.54 18.81 -2.81 2.93 19.16 -3.83 2.74 3 0 6.95 -999 ? O7 UNL A 134 >ASP^A 72 19.40 -6.73 -3.24 20.20 -8.59 -2.60 19.80 -7.66 -2.92 2 0 12.62 -999 ? O6 UNL A 134 >LEU^A 73 20.61 -0.95 -3.10 20.12 -0.30 -1.08 20.37 -0.63 -2.09 3 0 7.11 -999 ? O1 EDO A 135 >SER^A 74 19.54 -1.17 -7.52 17.55 -2.48 -8.21 18.54 -1.82 -7.86 2 0 10.91 -999 ? O2 EDO A 135 >ASP^A 75 17.07 1.20 -10.31 16.81 -0.54 -11.53 16.94 0.33 -10.92 2 0 10.29 -999 ? C2 EDO A 136 >ALA^A 76 19.89 4.36 -7.84 21.14 4.33 -6.96 20.52 4.34 -7.40 2 0 3.94 -999 ? C1 EDO A 135 >VAL^A 77 19.07 7.90 -8.97 17.24 8.53 -10.08 18.15 8.22 -9.52 3 0 5.21 -999 ? C2 EDO A 136 >VAL^A 78 21.15 10.73 -7.43 23.11 10.28 -6.49 22.13 10.50 -6.96 3 0 -5.33 -999 ? C2 EDO A 135s >ARG^A 79 18.55 14.40 -10.07 18.36 12.03 -12.03 18.45 13.22 -11.05 2 0 -3.96 -999 ? O1 EDO A 136s >ALA^A 80 21.84 17.47 -5.89 23.03 18.17 -6.57 22.44 17.82 -6.23 2 0 12.12 -999 ? C2 EDO A 135 >ALA.A 81 19.92 19.90 -3.69 18.95 19.33 -2.69 19.43 19.62 -3.19 2 0 13.52 -999 ? O1 EDO A 136 >GLY.A 82 22.75 22.36 -3.63 22.82 21.56 -3.68 22.78 21.96 -3.66 1 0 16.33 -999 ? O1 EDO A 136 >GLU.A 83 28.77 22.55 -3.12 30.07 24.21 -2.94 29.42 23.38 -3.03 2 0 18.83 -999 ? C2 EDO A 135 >ASP.A 84 25.52 21.47 1.69 27.40 22.47 1.77 26.46 21.97 1.73 2 0 18.04 -999 ? C2 EDO A 135 >GLY^A 85 22.39 18.19 -0.12 22.99 18.17 -0.72 22.69 18.18 -0.42 1 0 13.20 -999 ? C1 EDO A 135 >ARG^A 86 24.76 14.91 -3.77 26.36 17.55 -3.90 25.56 16.23 -3.84 2 0 11.51 -999 ? C2 EDO A 135 >VAL^A 87 19.00 12.92 -2.84 17.06 13.76 -3.27 18.03 13.34 -3.05 3 0 9.67 -999 ? C1 EDO A 135 >VAL^A 88 19.23 9.17 -3.45 20.97 8.01 -2.94 20.10 8.59 -3.20 3 0 5.00 -999 ? C1 EDO A 135 >VAL^A 89 16.19 7.27 -4.84 14.39 8.22 -5.67 15.29 7.74 -5.26 3 0 8.00 -999 ? C2 EDO A 136 >VAL^A 90 16.78 3.52 -4.97 18.36 2.65 -3.66 17.57 3.09 -4.32 3 0 7.09 -999 ? O1 EDO A 135 >ARG^A 91 13.79 -2.41 -8.04 11.28 -4.17 -8.28 12.54 -3.29 -8.16 2 0 14.06 -999 ? O6 UNL A 134 >ALA^A 92 15.54 -2.18 -2.41 15.61 -1.53 -1.06 15.57 -1.86 -1.73 2 0 7.79 -999 ? O6 UNL A 134 >VAL^A 93 14.75 -5.91 -2.32 14.52 -7.28 -4.05 14.63 -6.59 -3.18 3 0 9.75 -999 ? O6 UNL A 134 >THR^A 94 14.69 -6.82 1.37 13.79 -4.96 2.15 14.24 -5.89 1.76 2 0 4.18 -999 ? O6 UNL A 134 >ALA^A 95 14.06 -9.83 3.64 14.37 -11.13 2.91 14.21 -10.48 3.27 2 0 8.49 -999 ? O6 UNL A 134 >GLY^A 96 14.45 -10.46 7.34 13.68 -10.68 7.13 14.06 -10.57 7.23 1 0 7.57 -999 ? O6 UNL A 134 >VAL^A 97 12.49 -10.90 10.51 12.50 -12.78 11.67 12.50 -11.84 11.09 3 0 9.71 -999 ? O9 UNL A 134 >TYR^A 98 9.37 -5.89 11.61 8.49 -3.52 12.77 8.93 -4.70 12.19 3 0 4.00 -999 ? O9 UNL A 134 >ASP.A 99 7.20 -7.67 15.10 7.52 -5.57 15.24 7.36 -6.62 15.17 2 0 7.39 -999 ? O9 UNL A 134 >GLY.A 100 8.98 -12.28 15.29 8.84 -11.91 14.62 8.91 -12.10 14.95 1 0 11.57 -999 ? O9 UNL A 134 >GLU^A 101 5.38 -12.56 12.35 3.51 -11.82 11.78 4.44 -12.19 12.07 2 0 11.68 -999 ? O9 UNL A 134 >ALA^A 102 9.79 -13.57 8.58 10.10 -14.99 7.96 9.94 -14.28 8.27 2 0 12.00 -999 ? O6 UNL A 134 >PHE^A 103 9.97 -8.74 6.62 12.20 -7.18 7.00 11.08 -7.96 6.81 3 0 4.84 -999 ? O6 UNL A 134 >THR^A 104 10.11 -10.21 2.32 9.62 -12.13 1.45 9.87 -11.17 1.89 2 0 10.07 -999 ? O6 UNL A 134 >GLU^A 105 8.40 -4.61 2.16 8.04 -3.62 4.03 8.22 -4.12 3.10 2 0 -3.91 -999 ? O8 UNL A 134s >THR^A 106 10.44 -4.66 -2.08 10.83 -5.58 -3.96 10.64 -5.12 -3.02 2 0 10.03 -999 ? O6 UNL A 134 >LEU^A 107 10.99 -0.59 -0.04 10.37 -1.32 1.89 10.68 -0.96 0.93 3 0 5.15 -999 ? O1 UNL A 134 >ARG^A 108 12.22 3.59 -6.01 11.99 2.02 -8.60 12.11 2.80 -7.31 2 0 8.95 -999 ? C2 EDO A 136 >PHE^A 109 14.69 2.95 0.92 14.39 0.94 2.78 14.54 1.94 1.85 3 0 4.80 -999 ? O1 UNL A 134 >THR^A 110 14.13 8.24 -1.04 12.88 9.74 -2.03 13.51 8.99 -1.54 2 0 10.79 -999 ? C1 EDO A 136 >ARG^A 111 18.81 6.54 2.79 18.48 3.81 1.48 18.64 5.18 2.13 2 0 8.14 -999 ? O1 EDO A 135 >ILE^A 112 17.10 14.20 1.95 16.31 14.34 1.56 16.71 14.27 1.76 3 0 12.89 -999 ? C1 EDO A 135 >TRP^A 113 21.86 10.59 1.28 23.51 8.51 4.17 22.69 9.55 2.73 3 0 8.33 -999 ? O1 EDO A 135 >ARG^A 114 23.08 18.14 7.82 20.35 18.37 9.29 21.72 18.26 8.55 2 0 18.69 -999 ? O4 UNL A 134 >ARG^A 115 29.73 19.59 2.37 30.41 18.30 -0.34 30.07 18.94 1.01 2 0 14.23 -999 ? C2 EDO A 135 >THR^A 116 28.55 17.75 7.54 27.77 15.88 8.31 28.16 16.81 7.93 2 0 16.81 -999 ? O1 EDO A 135 >GLY.A 118 34.30 19.09 11.41 34.23 18.73 10.57 34.27 18.91 10.99 1 0 23.14 -999 ? O1 EDO A 135 >PRO.A 119 33.89 14.84 12.56 34.58 16.07 10.79 34.23 15.45 11.67 3 0 21.27 -999 ? O1 EDO A 135 >ALA.A 120 33.93 15.98 6.62 34.95 16.25 5.55 34.44 16.11 6.08 2 0 18.02 -999 ? C2 EDO A 135 >GLY^A 121 31.04 13.63 5.84 30.75 14.41 5.76 30.90 14.02 5.80 1 0 14.70 -999 ? O1 EDO A 135 >TRP^A 122 28.96 13.33 2.11 26.71 16.04 0.40 27.83 14.69 1.25 3 0 11.29 -999 ? C1 EDO A 135 >LYS^A 123 24.41 12.43 7.40 27.11 12.43 12.86 25.76 12.43 10.13 2 0 18.63 -999 ? O1 EDO A 135 >LEU^A 124 20.37 9.95 6.74 18.94 9.07 5.40 19.65 9.51 6.07 3 0 11.29 -999 ? O4 UNL A 134 >VAL^A 125 18.34 14.19 7.35 18.57 16.14 6.23 18.45 15.16 6.79 3 0 14.92 -999 ? O4 UNL A 134 >ALA^A 126 15.23 12.62 5.85 14.30 13.76 5.39 14.76 13.19 5.62 2 0 12.25 -999 ? O4 UNL A 134 >GLY^A 127 13.88 9.67 4.05 13.26 10.00 4.50 13.57 9.83 4.27 1 0 8.79 -999 ? O4 UNL A 134 >HIS^A 128 8.57 8.71 1.77 6.49 8.78 1.59 7.53 8.74 1.68 3 0 9.30 -999 ? O1 UNL A 134 >CYH^A 129 10.13 4.25 2.00 10.15 2.63 4.30 10.14 3.44 3.15 2 0 -2.28 -999 ? O1 UNL A 134s >SER^A 130 7.11 2.66 0.40 6.63 4.10 -1.50 6.87 3.38 -0.55 2 0 9.00 -999 ? O1 UNL A 134 >VAL^A 131 6.35 -0.62 -1.26 4.77 -1.69 -0.12 5.56 -1.16 -0.69 3 0 8.58 -999 ? O2 UNL A 134 >ILE.A 132 8.07 -1.34 -5.69 9.16 -0.98 -6.44 8.62 -1.16 -6.07 3 0 12.17 -999 ? O1 UNL A 134 >LEU.A 133 2.28 -1.85 -5.84 1.59 -2.26 -3.81 1.94 -2.05 -4.82 3 0 14.12 -999 ? O8 UNL A 134