REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-SEP-04 1XJC COMPND MOBB PROTEIN HOMOLOG; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 GENE: RBSTP0958; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21[DE3]PMAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR J.OSIPIUK,M.ZHOU,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 18 8 HET MSE A 159 8 >MET?A 1 24.39 70.90 5.47 26.61 67.40 4.65 25.50 69.15 5.06 2 0 1000.00 -999 ? >ASN.A 2 19.63 70.77 5.89 18.07 71.74 6.94 18.85 71.26 6.42 2 0 1000.00 -999 ? >VAL^A 3 21.52 67.51 9.07 23.50 66.67 9.44 22.51 67.09 9.25 3 0 1000.00 -999 ? >TRP^A 4 17.27 68.46 9.73 14.63 69.54 12.46 15.95 69.00 11.10 3 0 1000.00 -999 ? >GLN^A 5 21.36 63.37 14.48 22.55 63.66 16.21 21.96 63.52 15.35 2 0 1000.00 -999 ? >VAL^A 6 16.54 60.27 14.41 15.10 59.43 13.00 15.82 59.85 13.70 3 0 1000.00 -999 ? >VAL^A 7 17.24 58.68 17.80 18.14 60.42 18.80 17.69 59.55 18.30 3 0 1000.00 -999 ? >GLY.A 8 15.59 55.87 19.73 16.32 55.58 19.44 15.95 55.73 19.58 1 0 1000.00 -999 ? >TYR.A 9 16.27 52.75 23.49 17.66 54.34 25.34 16.96 53.54 24.42 3 0 1000.00 -999 ? >LYS.A 10 15.16 49.08 19.15 17.65 44.56 17.04 16.41 46.82 18.09 2 0 1000.00 -999 ? >HIS.A 11 11.70 46.42 17.76 12.54 44.55 17.29 12.12 45.49 17.53 3 0 1000.00 -999 ? >SER.A 12 10.97 52.53 18.77 12.95 53.83 18.20 11.96 53.18 18.48 2 0 1000.00 -999 ? >GLY~A 13 9.68 53.42 15.29 10.48 53.55 15.40 10.08 53.48 15.34 1 0 1000.00 -999 ? >LYS~A 14 12.78 55.04 13.81 17.78 52.88 17.02 15.28 53.96 15.42 2 0 1000.00 -999 ? >THR~A 15 12.56 52.75 10.74 12.88 50.64 10.35 12.72 51.70 10.55 2 0 1000.00 -999 ? >THR~A 16 9.05 54.02 10.00 7.03 53.69 10.71 8.04 53.85 10.36 2 0 1000.00 -999 ? >LEU~A 17 10.66 58.33 11.70 10.74 60.49 11.88 10.70 59.41 11.79 3 0 1000.00 -999 ? >MET?A 18 13.32 57.28 8.34 16.41 58.29 9.44 14.86 57.78 8.89 2 0 1000.00 -999 ? >GLU~A 19 11.70 53.10 5.23 10.86 51.16 5.37 11.28 52.13 5.30 2 0 1000.00 -999 ? >LYS~A 20 8.57 58.05 5.38 4.11 55.39 6.33 6.34 56.72 5.86 2 0 1000.00 -999 ? >TRP~A 21 11.76 63.87 6.42 13.46 64.72 9.87 12.61 64.30 8.15 3 0 1000.00 -999 ? >VAL~A 22 13.23 60.04 3.14 14.95 58.67 2.85 14.09 59.35 3.00 3 0 1000.00 -999 ? >ALA~A 23 10.29 59.31 0.77 9.15 58.25 1.01 9.72 58.78 0.89 2 0 1000.00 -999 ? >ALA~A 24 8.67 62.73 1.29 8.13 63.30 2.62 8.40 63.01 1.96 2 0 1000.00 -999 ? >ALA~A 25 12.04 64.44 0.78 13.32 64.24 1.62 12.68 64.34 1.20 2 0 1000.00 -999 ? >VAL~A 26 12.63 62.42 -2.42 13.43 60.42 -2.94 13.03 61.42 -2.68 3 0 1000.00 -999 ? >ARG~A 27 5.95 61.47 -2.48 5.91 60.06 0.25 5.93 60.77 -1.12 2 0 1000.00 -999 ? >GLU~A 28 8.90 67.78 -1.02 7.36 68.84 -1.98 8.13 68.31 -1.50 2 0 1000.00 -999 ? >GLY.A 29 12.88 66.34 -5.46 12.95 66.45 -4.67 12.91 66.39 -5.07 1 0 1000.00 -999 ? >TRP.A 30 13.70 69.17 -1.67 12.86 69.47 2.17 13.28 69.32 0.25 3 0 1000.00 -999 ? >ARG.A 31 21.25 67.58 -5.30 23.00 65.26 -6.30 22.12 66.42 -5.80 2 0 1000.00 -999 ? >VAL^A 32 18.99 63.30 0.31 17.11 62.77 1.31 18.05 63.04 0.81 3 0 1000.00 -999 ? >GLY^A 33 21.67 61.43 2.22 20.93 61.59 2.67 21.30 61.51 2.44 1 0 1000.00 -999 ? >THR^A 34 21.21 58.97 5.11 19.65 57.67 4.31 20.43 58.32 4.71 2 0 1000.00 -999 ? >VAL^A 35 23.62 57.63 7.75 25.45 58.82 8.18 24.53 58.23 7.97 3 0 1000.00 -999 ? >LYS^A 36 22.84 54.68 10.03 17.68 52.73 6.78 20.26 53.71 8.41 2 0 1000.00 -999 ? >HIS.A 37 26.52 53.53 14.73 28.37 53.00 15.59 27.44 53.26 15.16 3 0 1000.00 -999 ? >HIS.A 38 26.63 48.53 13.84 27.08 48.62 15.89 26.86 48.58 14.87 3 0 1000.00 -999 ? >GLY.A 59 41.90 42.56 4.55 41.66 42.74 3.80 41.78 42.65 4.17 1 0 1000.00 -999 ? >ALA.A 60 41.82 45.33 1.96 41.08 45.31 0.63 41.45 45.32 1.29 2 0 1000.00 -999 ? >VAL.A 61 41.46 48.82 3.46 42.86 50.31 4.26 42.16 49.56 3.86 3 0 1000.00 -999 ? >ALA^A 62 39.06 49.92 0.70 39.39 51.36 0.29 39.22 50.64 0.50 2 0 1000.00 -999 ? >THR^A 63 36.91 48.29 -1.97 36.32 46.50 -0.90 36.62 47.40 -1.43 2 0 1000.00 -999 ? >ALA^A 64 34.67 49.93 -4.54 35.21 51.31 -4.92 34.94 50.62 -4.73 2 0 1000.00 -999 ? >VAL^A 65 32.34 48.51 -7.16 31.56 46.49 -7.07 31.95 47.50 -7.12 3 0 1000.00 -999 ? >GLU^A 66 31.14 53.40 -10.45 30.22 53.28 -12.37 30.68 53.34 -11.41 2 0 1000.00 -999 ? >GLY^A 67 28.24 50.74 -12.35 27.97 51.28 -11.79 28.11 51.01 -12.07 1 0 1000.00 -999 ? >ASP.A 68 24.19 51.79 -13.65 24.50 49.91 -14.60 24.35 50.85 -14.12 2 0 1000.00 -999 ? >GLY.A 69 25.98 55.87 -11.71 26.08 55.13 -11.39 26.03 55.50 -11.55 1 0 1000.00 -999 ? >LEU^A 70 24.99 52.68 -8.29 24.54 52.06 -6.26 24.77 52.37 -7.28 3 0 1000.00 -999 ? >LEU^A 71 30.19 54.85 -6.45 32.29 54.79 -5.84 31.24 54.82 -6.14 3 0 1000.00 -999 ? >GLN^A 72 29.04 48.78 -2.79 28.42 46.78 -3.16 28.73 47.78 -2.98 2 0 1000.00 -999 ? >LEU^A 73 32.61 53.03 -0.99 33.61 54.54 -2.19 33.11 53.79 -1.59 3 0 1000.00 -999 ? >HIS^A 74 32.14 47.49 1.48 30.18 46.76 1.43 31.16 47.13 1.46 3 0 1000.00 -999 ? >LEU^A 75 35.98 53.13 3.59 35.95 54.23 1.71 35.96 53.68 2.65 3 0 1000.00 -999 ? >ARG.A 76 39.40 47.13 8.32 42.13 46.30 7.18 40.76 46.71 7.75 2 0 1000.00 -999 ? >ARG.A 77 38.84 56.55 9.51 39.79 58.00 7.00 39.31 57.28 8.25 2 0 1000.00 -999 ? >PRO.A 78 42.13 52.86 13.02 39.99 52.31 12.67 41.06 52.58 12.84 3 0 1000.00 -999 ? >LEU.A 79 37.01 54.95 15.46 35.45 55.99 16.54 36.23 55.47 16.00 3 0 1000.00 -999 ? >TRP.A 80 34.50 53.61 9.58 35.91 56.15 6.94 35.21 54.88 8.26 3 0 1000.00 -999 ? >ARG~A 81 35.72 61.18 15.40 36.36 60.53 18.34 36.04 60.86 16.87 2 0 1000.00 -999 ? >LEU~A 82 28.47 61.47 12.86 26.57 62.02 11.92 27.52 61.74 12.39 3 0 1000.00 -999 ? >ASP~A 83 32.51 64.90 11.83 31.29 66.41 12.69 31.90 65.66 12.26 2 0 1000.00 -999 ? >ASP~A 84 34.64 60.36 9.29 36.01 60.60 10.84 35.33 60.48 10.07 2 0 1000.00 -999 ? >VAL~A 85 30.87 60.47 7.02 29.62 58.73 7.47 30.25 59.60 7.25 3 0 1000.00 -999 ? >LEU~A 86 28.87 64.88 7.76 26.99 64.75 8.84 27.93 64.82 8.30 3 0 1000.00 -999 ? >ALA~A 87 32.67 65.14 5.18 34.06 64.96 5.81 33.37 65.05 5.49 2 0 1000.00 -999 ? >LEU~A 88 32.26 61.04 2.56 34.01 59.79 2.81 33.14 60.42 2.68 3 0 1000.00 -999 ? >TYR~A 89 27.04 62.39 2.92 25.99 59.79 3.14 26.51 61.09 3.03 3 0 1000.00 -999 ? >ALA~A 90 29.80 67.56 1.58 31.05 68.10 2.27 30.42 67.83 1.92 2 0 1000.00 -999 ? >PRO~A 91 32.71 66.25 -1.23 30.72 67.26 -1.41 31.71 66.75 -1.32 3 0 1000.00 -999 ? >LEU~A 92 26.90 64.57 -2.62 27.67 62.63 -3.21 27.28 63.60 -2.92 3 0 1000.00 -999 ? >ARG~A 93 25.90 70.52 -6.30 23.96 68.87 -8.03 24.93 69.70 -7.17 2 0 1000.00 -999 ? >LEU.A 94 23.06 66.35 0.58 23.60 64.33 -0.01 23.33 65.34 0.29 3 0 1000.00 -999 ? >ASP.A 95 18.30 69.39 -0.10 18.63 70.04 -2.09 18.46 69.72 -1.09 2 0 1000.00 -999 ? >LEU^A 96 17.50 66.70 3.69 16.25 66.13 5.39 16.87 66.42 4.54 3 0 1000.00 -999 ? >VAL^A 97 20.94 64.39 5.60 23.14 64.27 5.54 22.04 64.33 5.57 3 0 1000.00 -999 ? >LEU^A 98 17.72 61.45 7.55 15.88 62.57 7.29 16.80 62.01 7.42 3 0 1000.00 -999 ? >VAL^A 99 21.16 60.51 10.62 23.07 61.35 11.21 22.11 60.93 10.91 3 0 1000.00 -999 ? >GLU^A 100 18.25 55.63 12.73 17.62 53.78 11.92 17.94 54.71 12.33 2 0 1000.00 -999 ? >GLY.A 101 21.79 57.32 15.95 21.79 58.05 15.58 21.79 57.68 15.76 1 0 1000.00 -999 ? >TYR.A 102 26.02 58.95 14.78 27.04 57.17 12.87 26.53 58.06 13.82 3 0 1000.00 -999 ? >LYS.A 103 22.82 60.50 19.97 22.35 56.53 25.01 22.59 58.51 22.49 2 0 1000.00 -999 ? >GLN.A 104 28.13 61.62 20.82 27.79 59.88 19.62 27.96 60.75 20.22 2 0 1000.00 -999 ? >GLU.A 105 27.13 63.27 16.53 28.97 64.22 16.91 28.05 63.75 16.72 2 0 1000.00 -999 ? >ARG.A 106 26.49 69.66 21.17 24.72 70.78 23.40 25.60 70.22 22.28 2 0 1000.00 -999 ? >HIS.A 107 23.80 67.18 13.61 25.80 67.24 12.99 24.80 67.21 13.30 3 0 1000.00 -999 ? >PRO.A 108 18.54 69.91 13.42 19.12 68.95 15.35 18.83 69.43 14.39 3 0 1000.00 -999 ? >LYS^A 109 16.80 65.60 16.43 21.18 65.52 18.95 18.99 65.56 17.69 2 0 1000.00 -999 ? >VAL^A 110 13.55 63.73 16.59 12.00 63.61 15.08 12.78 63.67 15.83 3 0 1000.00 -999 ? >VAL^A 111 13.34 61.33 19.53 14.24 61.73 21.50 13.79 61.53 20.51 3 0 1000.00 -999 ? >LEU^A 112 11.49 57.19 18.00 11.08 57.56 15.91 11.29 57.37 16.95 3 0 1000.00 -999 ? >VAL^A 113 10.12 56.53 22.43 9.93 58.42 23.55 10.03 57.47 22.99 3 0 1000.00 -999 ? >ARG.A 114 10.66 50.46 22.30 13.05 49.54 24.01 11.85 50.00 23.16 2 0 1000.00 -999 ? >SER~A 115 7.54 54.36 26.77 9.31 52.98 27.61 8.42 53.67 27.19 2 0 1000.00 -999 ? >GLU~A 116 7.46 57.99 31.84 7.84 59.92 31.08 7.65 58.95 31.46 2 0 1000.00 -999 ? >GLU~A 117 12.38 52.76 31.16 12.34 50.68 31.64 12.36 51.72 31.40 2 0 1000.00 -999 ? >ASP~A 118 12.03 55.05 25.75 12.24 53.05 25.10 12.14 54.05 25.43 2 0 1000.00 -999 ? >TRP~A 119 9.86 61.93 28.56 11.78 63.85 25.69 10.82 62.89 27.12 3 0 1000.00 -999 ? >ALA~A 120 13.42 59.32 30.87 13.08 58.43 32.06 13.25 58.88 31.47 2 0 1000.00 -999 ? >SER~A 121 16.78 58.18 29.51 16.68 56.15 28.21 16.73 57.16 28.86 2 0 1000.00 -999 ? >LEU~A 122 15.82 59.50 25.05 16.37 57.71 23.95 16.09 58.60 24.50 3 0 1000.00 -999 ? >GLN~A 123 14.64 63.52 29.92 13.18 63.76 31.47 13.91 63.64 30.70 2 0 1000.00 -999 ? >HIS.A 124 18.46 64.31 30.75 17.20 64.46 32.42 17.83 64.39 31.58 3 0 1000.00 -999 ? >LEU.A 125 19.47 63.84 23.61 20.12 61.79 23.41 19.79 62.82 23.51 3 0 1000.00 -999 ? >ALA.A 126 20.78 67.98 22.92 22.24 68.39 22.67 21.51 68.18 22.80 2 0 1000.00 -999 ? >ASN.A 127 19.73 69.92 19.24 19.51 71.56 17.89 19.62 70.74 18.57 2 0 1000.00 -999 ? >ILE^A 128 14.97 67.02 21.89 14.58 65.87 22.65 14.78 66.44 22.27 3 0 1000.00 -999 ? >ARG^A 129 14.72 71.50 17.40 16.46 73.25 15.57 15.59 72.37 16.48 2 0 1000.00 -999 ? >ALA^A 130 10.12 66.66 18.54 9.46 66.63 17.15 9.79 66.64 17.85 2 0 1000.00 -999 ? >VAL^A 131 9.12 63.35 20.04 9.28 63.01 22.21 9.20 63.18 21.13 3 0 1000.00 -999 ? >ILE^A 132 7.56 60.22 16.83 7.31 60.28 15.39 7.43 60.25 16.11 3 0 1000.00 -999 ? >ALA^A 133 5.86 57.99 20.73 5.71 58.62 22.12 5.79 58.31 21.42 2 0 1000.00 -999 ? >TRP.A 134 6.30 53.15 20.02 6.55 49.36 21.07 6.42 51.26 20.55 3 0 1000.00 -999 ? >GLU.A 135 3.36 55.13 25.93 3.28 54.41 27.92 3.32 54.77 26.92 2 0 1000.00 -999 ? >PRO.A 136 -0.44 58.77 26.81 1.40 59.06 25.59 0.48 58.92 26.20 3 0 1000.00 -999 ? >LEU.A 137 5.53 61.56 27.56 6.87 60.52 26.24 6.20 61.04 26.90 3 0 1000.00 -999 ? >GLU.A 138 3.54 60.08 33.14 3.97 59.02 34.91 3.76 59.55 34.02 2 0 1000.00 -999 ? >GLY.A 139 5.26 65.51 33.22 4.87 65.41 32.53 5.06 65.46 32.88 1 0 1000.00 -999 ? >PRO.A 140 6.21 69.63 33.50 5.87 68.22 31.81 6.04 68.93 32.66 3 0 1000.00 -999 ? >LEU.A 141 6.46 67.51 26.91 8.17 66.41 26.17 7.31 66.96 26.54 3 0 1000.00 -999 ? >ALA.A 142 9.03 71.37 25.94 10.39 71.88 26.40 9.71 71.62 26.17 2 0 1000.00 -999 ? >HIS.A 143 11.04 69.13 22.87 12.82 69.82 23.74 11.93 69.47 23.30 3 0 1000.00 -999 ? >PRO.A 144 6.86 69.58 18.54 6.28 68.99 20.61 6.57 69.29 19.58 3 0 1000.00 -999 ? >VAL^A 145 4.76 65.00 20.79 4.93 63.98 22.73 4.85 64.49 21.76 3 0 1000.00 -999 ? >PHE^A 146 3.85 64.64 16.14 4.37 67.27 15.26 4.11 65.96 15.70 3 0 1000.00 -999 ? >SER^A 147 1.84 59.44 17.80 0.26 57.70 17.20 1.05 58.57 17.50 2 0 1000.00 -999 ? >LEU.A 148 4.62 55.85 16.11 6.24 54.84 15.12 5.43 55.35 15.61 3 0 1000.00 -999 ? >ALA.A 149 0.76 56.41 13.70 -0.49 55.76 14.32 0.13 56.08 14.01 2 0 1000.00 -999 ? >ASP~A 150 -0.16 61.02 14.04 -1.21 62.75 13.45 -0.69 61.89 13.75 2 0 1000.00 -999 ? >ASP~A 151 3.35 59.44 9.16 1.94 58.22 8.12 2.64 58.83 8.64 2 0 1000.00 -999 ? >ASP~A 152 -1.44 62.21 7.91 -1.86 60.73 6.46 -1.65 61.47 7.19 2 0 1000.00 -999 ? >GLU~A 153 0.25 66.56 12.56 -1.59 67.21 13.35 -0.67 66.89 12.95 2 0 1000.00 -999 ? >TYR~A 154 5.12 62.31 12.41 5.28 59.54 11.98 5.20 60.93 12.20 3 0 1000.00 -999 ? >ILE~A 155 5.61 63.29 7.06 6.92 62.63 6.81 6.27 62.96 6.94 3 0 1000.00 -999 ? >PRO~A 156 2.63 66.51 6.20 4.65 66.97 7.04 3.64 66.74 6.62 3 0 1000.00 -999 ? >TRP~A 157 4.95 70.79 13.06 8.42 69.94 14.70 6.68 70.37 13.88 3 0 1000.00 -999 ? >LEU~A 158 9.62 66.46 9.93 10.04 65.38 11.74 9.83 65.92 10.83 3 0 1000.00 -999 ? >MET?A 159 9.51 68.90 6.18 10.46 66.51 3.98 9.98 67.70 5.08 2 0 1000.00 -999 ? >ASN~A 160 7.11 72.85 7.77 6.99 74.96 8.11 7.05 73.90 7.94 2 0 1000.00 -999 ? >GLU~A 161 10.07 71.62 12.19 9.96 73.61 12.94 10.02 72.62 12.57 2 0 1000.00 -999 ? >VAL~A 162 13.74 71.50 7.47 14.46 69.64 6.56 14.10 70.57 7.02 3 0 1000.00 -999 ? >ARG~A 163 9.91 73.65 2.15 7.79 71.56 2.87 8.85 72.61 2.51 2 0 1000.00 -999 ? >THR~A 164 12.42 76.96 7.43 10.66 76.64 8.63 11.54 76.80 8.03 2 0 1000.00 -999 ? >ARG.A 165 16.80 74.62 4.69 16.44 72.79 2.21 16.62 73.70 3.45 2 0 1000.00 -999 ?