REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-OCT-05 2D5A COMPND HYPOTHETICAL PROTEIN PH1109; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH1109; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR T.B.HIYAMA,S.SEKINE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET COA A 200 48 SITE 1 AC1 26 GLU A 2 GLY A 29 SER A 31 LYS A 33 >MET.A 1 22.59 15.82 45.75 20.29 18.86 47.16 21.44 17.34 46.46 2 0 31.90 -999 ? S1P COA A 200 >GLU.A 2 25.23 11.70 46.53 25.52 9.62 46.81 25.37 10.66 46.67 2 0 -26.62 -999 ? O5P COA A 200s >GLU.A 3 29.10 17.57 44.37 28.16 18.69 42.81 28.63 18.13 43.59 2 0 22.99 -999 ? S1P COA A 200 >THR.A 4 30.23 13.48 40.52 31.13 14.13 38.63 30.68 13.80 39.57 2 0 17.87 -999 ? O5P COA A 200 >ARG.A 5 33.24 13.77 44.51 34.88 13.80 47.19 34.06 13.79 45.85 2 0 20.60 -999 ? S1P COA A 200 >PRO.A 6 37.69 11.31 40.50 35.77 10.18 40.58 36.73 10.75 40.54 3 0 14.16 -999 ? O5P COA A 200 >ILE.A 7 34.51 5.73 38.12 34.35 4.70 37.09 34.43 5.21 37.60 3 0 14.74 -999 ? O5P COA A 200 >ASP.A 8 39.40 4.61 40.91 40.12 6.59 41.27 39.76 5.60 41.09 2 0 13.15 -999 ? O5P COA A 200 >GLY.A 9 36.44 5.81 44.46 37.20 5.94 44.27 36.82 5.87 44.36 1 0 17.85 -999 ? O5P COA A 200 >LEU.A 10 41.07 7.04 45.12 42.09 5.09 45.04 41.58 6.07 45.08 3 0 16.14 -999 ? O5P COA A 200 >THR~A 11 39.72 10.57 47.71 39.59 10.05 49.80 39.66 10.31 48.75 2 0 20.80 -999 ? O5P COA A 200 >ASP~A 12 41.68 14.87 47.15 40.67 15.72 45.47 41.17 15.30 46.31 2 0 16.11 -999 ? S1P COA A 200 >GLU~A 13 44.26 11.78 52.62 45.78 13.26 53.10 45.02 12.52 52.86 2 0 22.34 -999 ? S1P COA A 200 >ASP~A 14 43.41 7.80 48.49 41.88 7.39 49.95 42.65 7.59 49.22 2 0 20.47 -999 ? O5P COA A 200 >ILE~A 15 45.05 10.84 44.46 45.07 9.95 43.31 45.06 10.40 43.88 3 0 13.85 -999 ? O5P COA A 200 >ARG~A 16 47.90 16.07 49.38 48.71 18.73 50.98 48.30 17.40 50.18 2 0 20.52 -999 ? S1P COA A 200 >GLU~A 17 48.23 9.60 51.67 47.26 8.30 53.10 47.75 8.95 52.38 2 0 23.08 -999 ? O5P COA A 200 >ILE~A 18 49.00 7.09 45.51 48.25 6.29 44.74 48.63 6.69 45.12 3 0 15.54 -999 ? O5P COA A 200 >LEU~A 19 51.15 11.77 44.09 50.07 11.76 42.14 50.61 11.77 43.12 3 0 13.01 -999 ? S1P COA A 200 >THR~A 20 53.98 11.42 47.67 53.58 12.78 49.28 53.78 12.10 48.47 2 0 19.51 -999 ? S1P COA A 200 >ARG~A 21 55.72 5.60 50.97 57.02 2.98 49.86 56.37 4.29 50.42 2 0 23.54 -999 ? O5P COA A 200 >TYR~A 22 53.23 3.96 46.47 52.17 2.22 48.45 52.70 3.09 47.46 3 0 19.72 -999 ? O5P COA A 200 >LYS.A 23 57.71 7.02 43.40 58.63 12.48 43.97 58.17 9.75 43.69 2 0 17.40 -999 ? S1P COA A 200 >LYS^A 24 59.16 3.85 41.71 64.50 3.39 43.15 61.83 3.62 42.43 2 0 20.88 -999 ? C2A COA A 200 >ILE^A 25 56.72 5.27 37.92 55.35 5.56 38.54 56.03 5.42 38.23 3 0 13.48 -999 ? O5P COA A 200 >ALA^A 26 57.00 1.36 35.58 56.65 -0.08 35.70 56.83 0.64 35.64 2 0 10.46 -999 ? C2A COA A 200 >LEU^A 27 56.12 4.95 32.55 55.25 6.60 31.30 55.69 5.77 31.92 3 0 9.68 -999 ? N3A COA A 200 >VAL^A 28 54.16 1.08 30.20 53.32 -0.91 30.75 53.74 0.09 30.48 3 0 5.17 -999 ? C2A COA A 200 >GLY.A 29 53.80 2.30 26.63 54.45 2.53 27.14 54.12 2.41 26.88 1 0 -3.40 -999 ? N3A COA A 200s >ALA.A 30 56.75 4.67 27.02 58.03 4.38 27.83 57.39 4.52 27.42 2 0 7.02 -999 ? N3A COA A 200 >SER.A 31 57.73 6.33 23.72 56.77 7.20 21.66 57.25 6.76 22.69 2 0 -2.55 -999 ? O7A COA A 200s >PRO.A 32 61.05 7.07 20.89 60.08 8.13 22.67 60.56 7.60 21.78 3 0 4.93 -999 ? O7A COA A 200 >LYS.A 33 57.91 10.59 20.40 55.39 6.23 16.52 56.65 8.41 18.46 2 0 -2.57 -999 ? O8A COA A 200s >PRO.A 34 59.50 14.65 21.00 57.60 13.54 21.58 58.55 14.09 21.29 3 0 9.17 -999 ? O7A COA A 200 >GLU.A 35 53.63 12.15 18.95 53.73 11.31 16.92 53.68 11.73 17.93 2 0 6.29 -999 ? O8A COA A 200 >ARG~A 36 52.57 7.90 21.23 50.85 6.72 19.04 51.71 7.31 20.14 2 0 -3.15 -999 ? O3A COA A 200s >ASP~A 37 49.70 11.06 26.37 48.31 12.43 25.36 49.01 11.75 25.87 2 0 -3.62 -999 ? N4P COA A 200s >ALA~A 38 53.38 8.82 27.55 53.64 7.35 27.00 53.51 8.09 27.27 2 0 5.82 -999 ? O9P COA A 200 >ASN~A 39 56.89 11.27 25.18 58.78 12.24 25.06 57.84 11.76 25.12 2 0 8.89 -999 ? O7A COA A 200 >ILE~A 40 53.68 14.80 27.68 54.16 15.83 27.08 53.92 15.31 27.38 3 0 7.39 -999 ? S1P COA A 200 >VAL~A 41 53.98 12.51 31.37 52.09 11.60 32.17 53.03 12.05 31.77 3 0 5.85 -999 ? C3P COA A 200 >MET~A 42 57.30 10.52 31.68 59.74 7.63 30.24 58.52 9.07 30.96 2 0 10.92 -999 ? O7A COA A 200 >LYS~A 43 59.31 13.76 31.34 59.39 16.11 26.02 59.35 14.93 28.68 2 0 12.72 -999 ? O7A COA A 200 >TYR~A 44 54.88 16.36 34.96 53.69 17.57 37.18 54.28 16.97 36.07 3 0 8.87 -999 ? S1P COA A 200 >LEU~A 45 56.89 11.19 36.30 54.75 10.66 36.65 55.82 10.92 36.47 3 0 10.74 -999 ? C3P COA A 200 >LEU~A 46 62.03 12.34 34.74 62.58 10.27 34.04 62.31 11.30 34.39 3 0 15.50 -999 ? C3P COA A 200 >GLU~A 47 61.28 17.51 34.45 60.05 18.43 32.91 60.67 17.97 33.68 2 0 13.29 -999 ? S1P COA A 200 >HIS~A 48 57.24 17.20 39.25 56.83 19.02 38.24 57.03 18.11 38.74 3 0 12.85 -999 ? S1P COA A 200 >GLY.A 49 61.45 13.19 41.58 60.94 12.94 41.04 61.19 13.06 41.31 1 0 17.72 -999 ? S1P COA A 200 >TYR.A 50 57.34 10.54 40.13 55.13 11.57 41.58 56.23 11.05 40.86 3 0 13.84 -999 ? S1P COA A 200 >ASP^A 51 62.69 6.26 40.44 64.31 5.14 39.77 63.50 5.70 40.10 2 0 18.58 -999 ? C2A COA A 200 >VAL^A 52 60.52 6.19 36.05 58.93 7.53 35.18 59.73 6.86 35.61 3 0 14.14 -999 ? C2A COA A 200 >TYR^A 53 62.49 1.70 36.25 64.49 1.62 38.10 63.49 1.66 37.18 3 0 15.11 -999 ? C2A COA A 200 >PRO^A 54 62.16 3.79 30.04 60.42 3.10 31.38 61.29 3.45 30.71 3 0 9.98 -999 ? C2A COA A 200 >VAL^A 55 58.54 -0.35 29.67 57.74 -1.81 31.11 58.14 -1.08 30.39 3 0 6.14 -999 ? C2A COA A 200 >ASN.A 56 58.01 0.38 25.24 56.97 0.31 23.35 57.49 0.34 24.29 2 0 -3.27 -999 ? O2B COA A 200s >PRO.A 57 57.50 -5.18 24.87 59.05 -3.59 24.46 58.28 -4.38 24.66 3 0 -4.76 -999 ? N1A COA A 200s >LYS.A 58 59.96 -1.93 21.01 57.40 2.26 16.93 58.68 0.17 18.97 2 0 -2.80 -999 ? O9A COA A 200s >TYR.A 59 61.26 2.40 22.02 59.54 3.72 20.13 60.40 3.06 21.07 3 0 -4.49 -999 ? O7A COA A 200s >GLU.A 60 66.76 -1.98 23.17 67.80 -2.91 21.60 67.28 -2.44 22.39 2 0 13.37 -999 ? O2B COA A 200 >GLU^A 61 68.08 5.08 26.61 70.17 5.45 26.69 69.12 5.26 26.65 2 0 15.10 -999 ? O7A COA A 200 >VAL^A 62 63.67 6.35 26.13 61.52 5.90 25.74 62.59 6.13 25.94 3 0 8.44 -999 ? O7A COA A 200 >LEU.A 63 63.09 10.17 28.42 61.59 11.59 27.71 62.34 10.88 28.07 3 0 11.36 -999 ? O7A COA A 200 >GLY.A 64 67.74 8.60 28.62 67.11 8.18 28.77 67.43 8.39 28.69 1 0 14.45 -999 ? O7A COA A 200 >ARG^A 65 65.86 6.89 33.58 64.70 5.71 36.22 65.28 6.30 34.90 2 0 16.53 -999 ? C2A COA A 200 >LYS^A 66 66.96 2.09 29.84 72.16 0.28 31.59 69.56 1.19 30.71 2 0 18.92 -999 ? C2A COA A 200 >CYH.A 67 63.63 0.76 28.53 61.38 1.10 26.93 62.51 0.93 27.73 2 0 7.67 -999 ? C2A COA A 200 >TYR.A 68 63.62 -2.56 31.81 66.01 -1.90 33.11 64.81 -2.23 32.46 3 0 12.57 -999 ? C2A COA A 200 >PRO.A 69 62.34 -6.81 27.98 60.96 -4.98 28.04 61.65 -5.89 28.01 3 0 8.79 -999 ? N1A COA A 200 >SER~A 70 58.40 -6.24 30.77 58.48 -8.24 32.12 58.44 -7.24 31.45 2 0 9.81 -999 ? N1A COA A 200 >VAL~A 71 57.81 -4.82 34.28 56.05 -3.96 35.29 56.93 -4.39 34.79 3 0 9.96 -999 ? C2A COA A 200 >LEU~A 72 58.87 -9.55 35.19 57.19 -10.35 36.33 58.03 -9.95 35.76 3 0 13.27 -999 ? N1A COA A 200 >ASP~A 73 62.99 -7.14 32.37 62.59 -9.05 31.50 62.79 -8.10 31.93 2 0 12.36 -999 ? N1A COA A 200 >ILE~A 74 62.03 -3.12 36.31 61.31 -1.81 36.24 61.67 -2.47 36.27 3 0 13.00 -999 ? C2A COA A 200 >PRO.A 75 67.41 -3.23 36.67 65.67 -4.26 37.77 66.54 -3.75 37.22 3 0 17.01 -999 ? C2A COA A 200 >ASP.A 76 64.46 -1.08 40.72 64.76 0.32 42.33 64.61 -0.38 41.53 2 0 19.82 -999 ? C2A COA A 200 >LYS.A 77 61.24 -2.57 43.15 61.31 0.83 48.29 61.28 -0.87 45.72 2 0 23.86 -999 ? C2A COA A 200 >ILE.A 78 57.89 -1.70 39.96 58.05 -0.51 39.08 57.97 -1.11 39.52 3 0 14.39 -999 ? C2A COA A 200 >GLU.A 79 56.70 1.41 45.22 57.88 3.03 46.02 57.29 2.22 45.62 2 0 20.87 -999 ? O5P COA A 200 >VAL^A 80 53.14 1.89 40.54 52.20 3.87 40.78 52.67 2.88 40.66 3 0 14.19 -999 ? O5P COA A 200 >VAL^A 81 52.49 0.51 37.03 52.72 -1.54 36.34 52.60 -0.51 36.69 3 0 11.26 -999 ? C2A COA A 200 >ASP^A 82 52.16 4.85 35.27 51.22 6.58 34.61 51.69 5.72 34.94 2 0 7.47 -999 ? O5P COA A 200 >LEU^A 83 48.40 1.36 32.06 48.44 -0.65 32.92 48.42 0.35 32.49 3 0 8.58 -999 ? CEP COA A 200 >PHE.A 84 50.92 6.30 29.15 51.00 8.57 30.80 50.96 7.44 29.97 3 0 -4.86 -999 ? C7P COA A 200s >VAL.A 85 48.66 1.18 26.35 49.99 -0.44 27.16 49.33 0.37 26.76 3 0 -5.16 -999 ? CEP COA A 200s >LYS~A 86 45.33 0.12 24.93 45.68 1.28 18.89 45.50 0.70 21.91 2 0 -3.20 -999 ? O5A COA A 200s >PRO~A 87 41.21 0.01 26.45 43.15 -1.20 26.66 42.18 -0.60 26.55 3 0 6.65 -999 ? CEP COA A 200 >LYS~A 88 43.39 -5.20 25.95 40.09 -9.97 23.61 41.74 -7.58 24.78 2 0 13.85 -999 ? N6A COA A 200 >LEU~A 89 48.02 -3.73 25.80 48.25 -3.57 23.64 48.13 -3.65 24.72 3 0 -4.69 -999 ? N6A COA A 200s >THR~A 90 46.65 -3.88 30.05 45.14 -2.33 30.35 45.89 -3.11 30.20 2 0 8.54 -999 ? CEP COA A 200 >MET~A 91 45.66 -7.34 31.26 44.28 -9.65 32.88 44.97 -8.50 32.07 2 0 13.28 -999 ? N6A COA A 200 >GLU~A 92 49.10 -9.64 28.46 49.35 -11.61 29.26 49.23 -10.62 28.86 2 0 9.52 -999 ? N6A COA A 200 >TYR~A 93 51.83 -4.26 30.57 53.67 -4.44 28.46 52.75 -4.35 29.51 3 0 -4.54 -999 ? N1A COA A 200s >VAL~A 94 48.48 -6.02 35.37 46.38 -5.54 35.99 47.43 -5.78 35.68 3 0 12.49 -999 ? N1A COA A 200 >GLU~A 95 48.16 -11.39 34.29 47.65 -12.26 36.09 47.90 -11.82 35.19 2 0 15.23 -999 ? N6A COA A 200 >GLN~A 96 54.09 -8.53 33.00 54.89 -7.33 31.46 54.49 -7.93 32.23 2 0 7.65 -999 ? N1A COA A 200 >ALA~A 97 52.43 -5.86 38.11 51.33 -4.80 38.02 51.88 -5.33 38.07 2 0 13.02 -999 ? N1A COA A 200 >ILE~A 98 49.77 -9.42 40.10 48.43 -9.92 40.30 49.10 -9.67 40.20 3 0 17.00 -999 ? N1A COA A 200 >LYS~A 99 53.96 -10.89 40.02 52.89 -15.11 35.25 53.42 -13.00 37.64 2 0 15.49 -999 ? N6A COA A 200 >LYS~A 100 56.38 -7.94 40.58 61.31 -6.03 39.70 58.85 -6.99 40.14 2 0 16.37 -999 ? C2A COA A 200 >GLY~A 101 54.69 -6.94 43.92 54.65 -6.46 43.23 54.67 -6.70 43.57 1 0 18.99 -999 ? N1A COA A 200 >ALA.A 102 53.60 -3.51 42.72 53.19 -3.07 41.28 53.40 -3.29 42.00 2 0 15.79 -999 ? C2A COA A 200 >LYS.A 103 51.19 -1.67 44.99 53.16 -3.94 49.28 52.17 -2.81 47.14 2 0 23.82 -999 ? C2A COA A 200 >VAL^A 104 49.24 0.36 42.52 49.01 2.53 43.08 49.12 1.44 42.80 3 0 15.50 -999 ? O5P COA A 200 >VAL^A 105 47.90 -0.05 38.91 47.36 -1.82 37.70 47.63 -0.93 38.31 3 0 13.61 -999 ? O5P COA A 200 >TRP^A 106 47.13 6.39 36.45 47.45 8.74 39.58 47.29 7.56 38.02 3 0 8.31 -999 ? O5P COA A 200 >PHE^A 107 43.53 1.23 34.35 43.39 -1.63 34.76 43.46 -0.20 34.55 3 0 10.86 -999 ? CEP COA A 200 >GLN.A 108 48.21 7.03 32.31 48.53 8.97 33.19 48.37 8.00 32.75 2 0 -3.95 -999 ? O5P COA A 200s >TYR.A 109 42.79 10.55 30.39 43.00 12.77 32.17 42.90 11.66 31.28 3 0 -3.99 -999 ? O5P COA A 200s >ASN.A 110 41.71 6.15 26.15 40.53 7.99 25.91 41.12 7.07 26.03 2 0 4.93 -999 ? OAP COA A 200 >THR.A 111 43.26 2.48 28.98 45.00 3.43 29.95 44.13 2.96 29.46 2 0 5.10 -999 ? CEP COA A 200 >TYR.A 112 38.85 1.10 33.05 37.38 -0.44 34.88 38.12 0.33 33.96 3 0 12.76 -999 ? CEP COA A 200 >ASN~A 113 41.16 -3.48 30.59 40.50 -5.40 29.99 40.83 -4.44 30.29 2 0 12.38 -999 ? CEP COA A 200 >ARG~A 114 33.88 -3.79 33.00 32.53 -5.32 30.75 33.20 -4.55 31.88 2 0 17.83 -999 ? CEP COA A 200 >GLU~A 115 39.64 -9.90 32.27 38.53 -11.06 33.69 39.08 -10.48 32.98 2 0 18.40 -999 ? N6A COA A 200 >ALA~A 116 42.50 -6.30 34.15 43.31 -5.26 33.26 42.91 -5.78 33.71 2 0 12.95 -999 ? CEP COA A 200 >SER~A 117 41.01 -4.17 36.99 39.63 -2.46 37.98 40.32 -3.31 37.48 2 0 16.03 -999 ? O5P COA A 200 >LYS~A 118 39.51 -7.36 38.50 36.29 -12.64 37.12 37.90 -10.00 37.81 2 0 22.54 -999 ? N6A COA A 200 >LYS~A 119 42.73 -9.35 38.59 40.56 -13.68 36.87 41.65 -11.51 37.73 2 0 19.95 -999 ? N6A COA A 200 >ALA~A 120 44.39 -6.31 40.27 44.57 -4.86 39.73 44.48 -5.58 40.00 2 0 17.20 -999 ? N1A COA A 200 >ASP~A 121 40.14 -5.68 42.46 38.95 -5.07 44.10 39.54 -5.38 43.28 2 0 21.71 -999 ? O5P COA A 200 >GLU~A 122 40.06 -10.97 42.15 39.67 -12.46 40.67 39.87 -11.72 41.41 2 0 22.60 -999 ? N6A COA A 200 >ALA~A 123 45.49 -9.52 44.23 46.53 -9.36 43.07 46.01 -9.44 43.65 2 0 20.22 -999 ? N1A COA A 200 >GLY.A 124 45.07 -6.54 46.55 45.28 -6.37 45.85 45.17 -6.45 46.20 1 0 23.21 -999 ? N1A COA A 200 >LEU.A 125 47.11 -3.81 43.15 48.77 -5.16 42.69 47.94 -4.48 42.92 3 0 18.56 -999 ? N1A COA A 200 >ILE^A 126 45.88 0.87 45.28 45.99 1.96 46.28 45.94 1.42 45.78 3 0 17.80 -999 ? O5P COA A 200 >ILE^A 127 42.41 -0.27 40.79 41.89 -1.33 40.23 42.15 -0.80 40.51 3 0 15.44 -999 ? O5P COA A 200 >VAL^A 128 43.49 4.28 40.10 44.86 6.02 40.70 44.17 5.15 40.40 3 0 11.51 -999 ? O5P COA A 200 >ALA^A 129 41.40 4.79 36.93 40.32 3.74 36.85 40.86 4.26 36.89 2 0 10.85 -999 ? O5P COA A 200 >ASN.A 130 39.00 7.59 34.49 38.27 8.91 32.86 38.64 8.25 33.68 2 0 8.48 -999 ? O5P COA A 200 >ARG.A 131 42.48 9.87 39.76 40.65 10.09 42.22 41.56 9.98 40.99 2 0 13.36 -999 ? O5P COA A 200 >CYH~A 132 46.49 11.20 34.74 48.28 12.76 33.26 47.39 11.98 34.00 2 0 -3.26 -999 ? S1P COA A 200s >MET~A 133 49.50 11.14 37.15 51.85 7.72 37.82 50.67 9.43 37.49 2 0 9.78 -999 ? O5P COA A 200 >MET~A 134 50.66 14.43 35.83 52.12 16.51 32.46 51.39 15.47 34.14 2 0 -5.24 -999 ? S1P COA A 200s >ARG~A 135 45.80 17.67 33.61 47.46 19.18 31.53 46.63 18.43 32.57 2 0 -4.41 -999 ? S1P COA A 200s >GLU~A 136 45.05 12.65 39.46 43.44 13.81 40.39 44.24 13.23 39.92 2 0 10.36 -999 ? S1P COA A 200 >HIS~A 137 52.60 15.96 40.79 54.24 16.74 41.88 53.42 16.35 41.33 3 0 12.16 -999 ? S1P COA A 200 >GLU~A 138 50.28 19.66 37.05 49.80 19.91 34.95 50.04 19.79 36.00 2 0 6.95 -999 ? S1P COA A 200 >ARG~A 139 42.36 18.00 40.70 41.51 15.85 42.74 41.94 16.93 41.72 2 0 13.30 -999 ? S1P COA A 200 >LEU~A 140 46.79 16.59 44.74 44.76 15.64 44.72 45.77 16.11 44.73 3 0 14.01 -999 ? S1P COA A 200 >LEU~A 141 51.72 17.54 44.74 51.72 15.92 46.14 51.72 16.73 45.44 3 0 15.31 -999 ? S1P COA A 200 >GLY~A 142 51.09 21.78 42.72 50.89 21.79 43.51 50.99 21.78 43.11 1 0 14.22 -999 ? S1P COA A 200