REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 09-JUL-09 3I7T COMPND PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 3-142; COMPND 5 SYNONYM: RV2704; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 83332; SOURCE 4 STRAIN: H37RV; SOURCE 5 GENE: RV2704; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-22B AUTHOR K.G.THAKUR,B.GOPAL HET IOD A 151 1 HET IOD A 152 1 HET IOD A 153 1 HET IOD A 154 1 HET IOD A 155 1 HET IOD A 156 1 HET IOD A 157 1 SITE 1 AC1 1 ARG A 22 SITE 1 AC2 1 HOH A 176 SITE 1 AC3 3 GLY A 27 PRO A 28 IOD A 157 SITE 1 AC4 2 GLU A 13 ARG A 81 SITE 1 AC5 1 HOH A 176 SITE 1 AC6 3 GLU A 13 GLY A 27 IOD A 154 >SER.A 4 -10.65 24.47 40.79 -9.38 26.49 41.07 -10.02 25.48 40.93 2 0 19.19 -999 ? I IOD A 153 >ARG^A 5 -8.00 20.59 35.53 -7.56 18.20 33.69 -7.78 19.39 34.61 2 0 17.04 -999 ? I IOD A 152 >THR^A 6 -4.14 23.56 38.79 -3.92 24.28 40.85 -4.03 23.92 39.82 2 0 13.71 -999 ? I IOD A 153 >MET^A 7 -1.47 22.06 36.57 -4.02 21.41 33.37 -2.75 21.74 34.97 2 0 14.00 -999 ? I IOD A 152 >VAL^A 8 2.29 21.77 36.65 3.37 21.32 38.51 2.83 21.54 37.58 3 0 7.01 -999 ? I IOD A 152 >SER.A 9 4.45 21.84 33.52 5.05 22.89 31.43 4.75 22.36 32.48 2 0 8.36 -999 ? I IOD A 152 >SER.A 10 8.22 21.32 33.24 8.63 19.20 32.17 8.43 20.26 32.71 2 0 5.14 -999 ? I IOD A 152 >GLY.A 11 8.45 23.14 29.90 8.54 22.34 29.96 8.49 22.74 29.93 1 0 7.20 -999 ? I IOD A 157 >SER~A 12 9.70 20.04 28.09 8.48 18.05 28.61 9.09 19.05 28.35 2 0 5.36 -999 ? I IOD A 157 >GLU~A 13 9.87 19.66 21.97 9.96 21.75 22.01 9.92 20.71 21.99 2 0 5.28 -999 ? I IOD A 154s >PHE~A 14 7.55 13.69 25.95 6.37 11.15 25.83 6.96 12.42 25.89 3 0 6.32 -999 ? I IOD A 155 >GLU~A 15 5.10 17.73 29.65 5.92 18.79 31.25 5.51 18.26 30.45 2 0 6.79 -999 ? I IOD A 152 >SER~A 16 4.48 19.97 24.10 5.38 21.67 22.59 4.93 20.82 23.35 2 0 7.24 -999 ? I IOD A 155 >ALA~A 17 4.26 17.17 21.55 5.44 16.30 21.09 4.85 16.74 21.32 2 0 4.47 -999 ? I IOD A 155 >VAL~A 18 1.85 14.97 23.54 2.43 13.00 24.30 2.14 13.98 23.92 3 0 8.33 -999 ? I IOD A 155 >GLY~A 19 -0.26 17.60 25.38 0.08 16.92 25.73 -0.09 17.26 25.56 1 0 10.91 -999 ? I IOD A 155 >TYR.A 20 1.95 14.81 29.28 4.70 14.34 29.62 3.32 14.57 29.45 3 0 10.31 -999 ? I IOD A 155 >SER.A 21 1.02 17.96 32.45 -0.77 19.59 32.67 0.12 18.77 32.56 2 0 10.95 -999 ? I IOD A 152 >ARG.A 22 6.74 16.44 34.33 7.12 14.07 36.24 6.93 15.25 35.29 2 0 -4.91 -999 ? I IOD A 152s >ALA^A 23 1.00 17.06 37.70 1.63 17.35 39.03 1.32 17.20 38.37 2 0 7.76 -999 ? I IOD A 152 >VAL^A 24 -2.65 18.01 38.07 -3.99 18.01 36.33 -3.32 18.01 37.20 3 0 12.43 -999 ? I IOD A 152 >ARG^A 25 -3.78 20.83 44.66 -3.40 20.99 47.70 -3.59 20.91 46.18 2 0 14.03 -999 ? I IOD A 153 >ILE^A 26 -9.34 18.76 40.69 -9.47 18.25 40.03 -9.40 18.51 40.36 3 0 18.77 -999 ? I IOD A 152 >GLY.A 27 -9.77 18.97 45.22 -8.99 18.97 44.90 -9.38 18.97 45.06 1 0 20.13 -999 ? I IOD A 153s >PRO.A 28 -9.34 15.67 48.06 -8.00 17.20 47.04 -8.67 16.44 47.55 3 0 -19.81 -999 ? I IOD A 156s >LEU^A 29 -7.25 14.21 43.51 -6.88 12.31 42.54 -7.06 13.26 43.03 3 0 17.94 -999 ? I IOD A 152 >VAL^A 30 -2.89 15.28 42.89 -1.41 16.73 43.55 -2.15 16.01 43.22 3 0 12.98 -999 ? I IOD A 152 >VAL^A 31 -1.92 12.97 40.02 -3.74 12.60 38.88 -2.83 12.79 39.45 3 0 13.39 -999 ? I IOD A 152 >VAL^A 32 1.62 12.82 38.64 3.26 13.34 40.03 2.44 13.08 39.33 3 0 8.81 -999 ? I IOD A 152 >ALA^A 33 2.63 11.76 35.12 3.17 12.76 34.05 2.90 12.26 34.58 2 0 8.82 -999 ? I IOD A 152 >GLY^A 34 4.84 8.75 34.40 4.90 9.63 34.39 4.87 9.19 34.39 1 0 10.97 -999 ? I IOD A 152 >THR^A 35 8.26 10.06 35.31 8.37 11.57 36.81 8.31 10.81 36.06 2 0 6.93 -999 ? I IOD A 152 >THR^A 36 11.68 8.91 34.16 11.52 8.71 32.03 11.60 8.81 33.09 2 0 11.31 -999 ? I IOD A 152 >GLY.A 37 15.08 9.88 35.47 15.17 9.54 34.74 15.13 9.71 35.11 1 0 10.60 -999 ? I IOD A 152 >SER.A 38 18.50 10.98 34.35 18.09 13.32 33.80 18.30 12.15 34.07 2 0 10.90 -999 ? I IOD A 152 >GLY.A 39 21.48 8.86 35.39 21.20 8.72 34.61 21.34 8.79 35.00 1 0 13.34 -999 ? I IOD A 151 >ASP.A 40 25.00 5.92 34.06 25.90 4.64 32.78 25.45 5.28 33.42 2 0 16.75 -999 ? I IOD A 151 >ASP~A 41 23.12 2.35 36.74 22.86 0.23 36.78 22.99 1.29 36.76 2 0 12.96 -999 ? I IOD A 151 >ILE~A 42 18.13 0.49 37.43 17.13 -0.48 37.97 17.63 0.01 37.70 3 0 11.71 -999 ? I IOD A 151 >ALA~A 43 19.47 3.18 40.96 20.60 2.81 41.91 20.03 2.99 41.44 2 0 6.82 -999 ? I IOD A 151 >ALA~A 44 20.40 6.71 39.84 21.63 7.10 39.04 21.01 6.90 39.44 2 0 9.51 -999 ? I IOD A 151 >GLN~A 45 18.25 6.17 35.13 17.73 5.25 33.28 17.99 5.71 34.21 2 0 14.78 -999 ? I IOD A 151 >THR~A 46 15.03 5.78 40.21 14.45 3.87 40.98 14.74 4.82 40.60 2 0 8.50 -999 ? I IOD A 151 >ARG~A 47 19.48 7.83 44.89 21.92 6.81 43.32 20.70 7.32 44.10 2 0 5.72 -999 ? I IOD A 151 >ASP~A 48 16.98 11.16 38.63 17.07 13.11 37.82 17.02 12.14 38.22 2 0 9.60 -999 ? I IOD A 152 >ALA~A 49 12.57 10.00 38.89 12.12 8.61 38.40 12.35 9.31 38.64 2 0 10.35 -999 ? I IOD A 152 >LEU~A 50 11.93 9.40 43.67 10.99 7.46 44.08 11.46 8.43 43.87 3 0 9.10 -999 ? I IOD A 151 >ARG~A 51 16.03 16.18 42.24 14.57 18.38 43.75 15.30 17.28 43.00 2 0 4.86 -999 ? I IOD A 156 >ARG~A 52 13.00 13.93 36.58 15.16 15.61 35.18 14.08 14.77 35.88 2 0 7.00 -999 ? I IOD A 152 >ILE~A 53 7.69 12.06 41.74 6.98 10.85 41.63 7.34 11.46 41.68 3 0 8.48 -999 ? I IOD A 152 >GLU~A 54 9.81 16.16 46.68 11.33 15.69 48.11 10.57 15.92 47.40 2 0 5.22 -999 ? I IOD A 156 >ILE~A 55 10.38 18.85 41.40 11.55 19.49 40.80 10.96 19.17 41.10 3 0 4.34 -999 ? I IOD A 152 >ALA~A 56 6.05 18.26 40.59 5.71 17.16 39.59 5.88 17.71 40.09 2 0 4.33 -999 ? I IOD A 152 >LEU~A 57 4.51 16.32 44.75 3.58 14.36 44.67 4.04 15.34 44.71 3 0 8.40 -999 ? I IOD A 156 >GLY~A 58 5.59 20.50 45.59 5.20 20.49 44.84 5.40 20.49 45.21 1 0 5.10 -999 ? I IOD A 156 >GLN~A 59 6.54 23.34 41.42 7.36 23.47 39.47 6.95 23.41 40.44 2 0 4.65 -999 ? I IOD A 153 >ALA~A 60 0.99 21.31 43.24 0.56 19.99 42.57 0.78 20.65 42.90 2 0 10.04 -999 ? I IOD A 153 >GLY.A 61 1.04 21.96 47.01 1.19 21.25 46.67 1.11 21.61 46.84 1 0 9.53 -999 ? I IOD A 153 >ALA.A 62 1.75 18.32 47.92 1.09 17.28 47.03 1.42 17.80 47.48 2 0 10.14 -999 ? I IOD A 156 >THR~A 63 4.63 16.35 49.45 4.58 17.04 51.56 4.60 16.69 50.50 2 0 8.97 -999 ? I IOD A 156 >LEU~A 64 7.24 12.23 49.48 8.63 12.08 47.83 7.93 12.15 48.66 3 0 9.09 -999 ? I IOD A 156 >ALA~A 65 3.88 12.17 52.57 4.04 13.01 53.83 3.96 12.59 53.20 2 0 12.70 -999 ? I IOD A 156 >ASP.A 66 0.26 14.03 49.92 0.22 15.62 51.27 0.24 14.83 50.59 2 0 12.68 -999 ? I IOD A 156 >VAL^A 67 1.44 9.93 48.06 3.12 9.61 46.69 2.28 9.77 47.37 3 0 13.60 -999 ? I IOD A 156 >VAL^A 68 -0.99 6.98 48.39 -3.00 7.90 48.30 -1.99 7.44 48.34 3 0 18.27 -999 ? I IOD A 156 >ARG^A 69 -1.74 3.36 42.24 -3.48 0.95 43.10 -2.61 2.16 42.67 2 0 22.34 -999 ? I IOD A 152 >THR^A 70 3.20 4.61 43.14 4.91 4.71 44.46 4.06 4.66 43.80 2 0 14.51 -999 ? I IOD A 151 >ARG^A 71 0.89 1.48 37.26 -1.58 2.55 38.75 -0.35 2.02 38.00 2 0 19.21 -999 ? I IOD A 152 >ILE^A 72 7.86 0.90 39.83 8.91 1.06 40.78 8.38 0.98 40.30 3 0 13.82 -999 ? I IOD A 151 >TYR^A 73 5.71 1.24 34.04 3.01 1.92 34.21 4.36 1.58 34.12 3 0 17.80 -999 ? I IOD A 152 >VAL^A 74 11.14 -1.35 34.75 11.43 -2.21 36.73 11.29 -1.78 35.74 3 0 16.16 -999 ? I IOD A 151 >THR.A 75 12.90 -2.78 31.72 13.96 -1.18 30.67 13.43 -1.98 31.20 2 0 19.21 -999 ? I IOD A 151 >ASP~A 76 16.09 -5.50 33.69 16.92 -7.34 34.33 16.51 -6.42 34.01 2 0 18.80 -999 ? I IOD A 151 >ILE~A 77 11.12 -7.24 36.78 10.00 -7.83 37.22 10.56 -7.53 37.00 3 0 18.95 -999 ? I IOD A 151 >SER~A 78 15.45 -8.91 37.88 17.41 -9.08 36.43 16.43 -9.00 37.16 2 0 18.60 -999 ? I IOD A 151 >ARG~A 79 19.42 -4.18 36.54 19.29 -2.04 34.33 19.35 -3.11 35.44 2 0 15.57 -999 ? I IOD A 151 >TRP~A 80 13.49 -8.33 42.12 13.01 -7.81 45.99 13.25 -8.07 44.06 3 0 15.15 -999 ? I IOD A 151 >ARG~A 81 17.33 -7.55 46.73 15.69 -8.12 49.25 16.51 -7.84 47.99 2 0 -13.96 -999 ? I IOD A 151s >GLU~A 82 20.35 -2.29 41.96 21.60 -1.72 40.29 20.97 -2.00 41.13 2 0 10.82 -999 ? I IOD A 151 >VAL~A 83 14.86 0.07 42.54 13.61 0.18 40.76 14.24 0.13 41.65 3 0 9.52 -999 ? I IOD A 151 >GLY~A 84 13.16 -1.02 45.77 13.85 -0.62 45.66 13.50 -0.82 45.71 1 0 8.94 -999 ? I IOD A 151 >GLU~A 85 17.93 -1.38 48.19 19.92 -1.81 47.66 18.92 -1.60 47.93 2 0 7.27 -999 ? I IOD A 151 >VAL~A 86 15.55 3.78 46.54 16.44 4.82 44.82 16.00 4.30 45.68 3 0 3.94 -999 ? I IOD A 151 >HIS~A 87 9.37 2.80 46.24 7.31 3.05 46.55 8.34 2.92 46.39 3 0 11.03 -999 ? I IOD A 151 >ALA~A 88 12.23 2.41 50.42 12.93 1.11 50.79 12.58 1.76 50.61 2 0 7.91 -999 ? I IOD A 151 >GLN~A 89 17.00 6.21 51.65 18.08 4.89 52.99 17.54 5.55 52.32 2 0 5.08 -999 ? I IOD A 151 >ALA~A 90 11.92 7.63 49.95 11.62 7.86 48.46 11.77 7.75 49.20 2 0 7.77 -999 ? I IOD A 151 >PHE~A 91 7.60 6.41 49.17 6.94 8.28 47.20 7.27 7.35 48.19 3 0 11.86 -999 ? I IOD A 151 >GLY~A 92 9.83 3.71 54.32 9.31 4.33 54.31 9.57 4.02 54.31 1 0 11.23 -999 ? I IOD A 151 >LYS.A 93 7.60 5.65 56.72 8.55 9.76 56.06 8.07 7.71 56.39 2 0 13.87 -999 ? I IOD A 151 >ILE.A 94 5.24 7.79 53.11 5.44 8.93 52.53 5.34 8.36 52.82 3 0 14.76 -999 ? I IOD A 151 >ARG.A 95 5.37 1.68 55.51 4.41 0.10 57.98 4.89 0.89 56.75 2 0 18.43 -999 ? I IOD A 151 >PRO.A 96 4.02 4.83 48.49 2.64 4.16 50.15 3.33 4.49 49.32 3 0 15.72 -999 ? I IOD A 151 >VAL.A 97 0.87 1.04 47.81 -1.29 1.10 47.48 -0.21 1.07 47.65 3 0 19.66 -999 ? I IOD A 151 >THR.A 98 2.91 0.12 44.72 5.04 0.57 44.96 3.98 0.34 44.84 2 0 15.06 -999 ? I IOD A 151 >SER.A 99 3.23 -2.20 41.80 0.85 -2.14 41.54 2.04 -2.17 41.67 2 0 20.66 -999 ? I IOD A 151 >MET^A 100 6.30 -3.07 39.78 10.34 -3.67 40.71 8.32 -3.37 40.24 2 0 14.49 -999 ? I IOD A 151 >VAL^A 101 6.10 -4.66 36.37 4.04 -4.23 35.83 5.07 -4.45 36.10 3 0 20.78 -999 ? I IOD A 151 >GLU^A 102 10.56 -6.34 32.62 11.72 -8.07 32.65 11.14 -7.21 32.64 2 0 21.67 -999 ? I IOD A 151 >VAL.A 103 7.81 -3.64 30.20 7.18 -1.62 30.75 7.50 -2.63 30.47 3 0 20.82 -999 ? I IOD A 155 >THR.A 104 9.50 -4.26 26.85 8.11 -5.04 25.37 8.80 -4.65 26.11 2 0 21.51 -999 ? I IOD A 155 >ALA.A 105 10.51 -0.59 26.44 10.66 -0.33 24.94 10.58 -0.46 25.69 2 0 16.75 -999 ? I IOD A 155 >LEU.A 106 10.81 3.48 29.08 10.38 2.74 31.11 10.59 3.11 30.09 3 0 15.49 -999 ? I IOD A 155 >ILE.A 107 9.52 7.47 26.02 9.20 8.10 25.60 9.36 7.79 25.81 3 0 9.29 -999 ? I IOD A 155 >ALA.A 108 13.80 6.00 24.97 14.49 7.30 25.30 14.15 6.65 25.13 2 0 10.56 -999 ? I IOD A 155 >PRO.A 109 16.85 3.89 22.77 15.86 3.67 24.81 16.35 3.78 23.79 3 0 14.06 -999 ? I IOD A 155 >GLY.A 110 18.48 4.28 27.75 17.67 4.31 27.83 18.08 4.30 27.79 1 0 15.83 -999 ? I IOD A 155 >LEU.A 111 14.34 5.60 29.76 14.64 7.74 29.54 14.49 6.67 29.65 3 0 13.19 -999 ? I IOD A 155 >LEU.A 112 16.65 1.62 33.35 18.47 1.07 32.32 17.56 1.34 32.84 3 0 15.77 -999 ? I IOD A 151 >VAL^A 113 12.55 2.85 34.99 13.06 3.41 37.07 12.80 3.13 36.03 3 0 13.67 -999 ? I IOD A 151 >GLU^A 114 7.60 6.19 33.56 7.01 6.57 31.57 7.30 6.38 32.57 2 0 13.33 -999 ? I IOD A 152 >ILE^A 115 8.20 6.25 39.26 8.85 5.83 40.49 8.53 6.04 39.88 3 0 12.70 -999 ? I IOD A 152 >GLU^A 116 2.72 6.43 36.28 1.08 5.31 35.53 1.90 5.87 35.91 2 0 15.49 -999 ? I IOD A 152 >ALA^A 117 2.29 8.61 41.60 3.29 9.44 42.40 2.79 9.02 42.00 2 0 11.90 -999 ? I IOD A 152 >ASP^A 118 -2.32 8.47 42.92 -2.62 7.81 40.95 -2.47 8.14 41.94 2 0 16.27 -999 ? I IOD A 152 >ALA^A 119 -1.43 11.65 46.07 -0.38 12.77 46.13 -0.91 12.21 46.10 2 0 13.42 -999 ? I IOD A 156 >TYR^A 120 -6.47 12.10 49.41 -8.98 12.90 50.32 -7.73 12.50 49.86 3 0 20.41 -999 ? I IOD A 156 >VAL.A 121 -4.26 16.18 50.01 -4.56 15.92 52.21 -4.41 16.05 51.11 3 0 16.54 -999 ? I IOD A 156