REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-OCT-05 2ESH COMPND CONSERVED HYPOTHETICAL PROTEIN TM0937; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR Y.LIU,E.BOCHKAREVA,H.ZHENG,X.XU,B.NOCEK,V.LUNIN,A.EDWARD,E.F.PAI, AUTHOR 2 A.JOACHIMIAK,A.SAVCHENKO,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 3 (MCSG) HET CA A2000 1 SITE 1 AC1 2 THR A 67 HOH A2028 >ARG.A 4 -29.49 52.22 27.91 -31.31 52.21 30.38 -30.40 52.21 29.14 2 0 28.69 -999 ? CA CA A2000 >GLY.A 5 -27.27 55.68 28.34 -27.71 55.15 28.58 -27.49 55.41 28.46 1 0 24.52 -999 ? CA CA A2000 >GLY.A 6 -29.24 57.62 31.03 -29.47 57.57 30.28 -29.35 57.59 30.65 1 0 26.26 -999 ? CA CA A2000 >ARG~A 7 -33.03 55.10 28.37 -30.77 55.45 26.24 -31.90 55.27 27.31 2 0 23.46 -999 ? CA CA A2000 >GLY~A 8 -35.97 58.60 33.46 -35.67 59.03 32.86 -35.82 58.82 33.16 1 0 29.86 -999 ? CA CA A2000 >PHE~A 9 -37.43 64.14 35.70 -37.72 66.88 35.88 -37.57 65.51 35.79 3 0 31.20 -999 ? CA CA A2000 >ARG~A 10 -29.58 62.39 35.79 -27.73 62.64 33.33 -28.66 62.51 34.56 2 0 26.71 -999 ? CA CA A2000 >GLY~A 11 -32.87 61.86 30.60 -33.27 62.49 30.94 -33.07 62.17 30.77 1 0 25.33 -999 ? CA CA A2000 >TRP~A 12 -38.84 64.50 28.35 -39.77 67.82 30.24 -39.31 66.16 29.29 3 0 26.25 -999 ? CA CA A2000 >TRP~A 13 -33.02 69.08 33.69 -36.33 71.16 34.19 -34.68 70.12 33.94 3 0 28.38 -999 ? CA CA A2000 >LEU~A 14 -30.04 65.46 30.02 -27.78 65.62 29.80 -28.91 65.54 29.91 3 0 23.06 -999 ? CA CA A2000 >ALA~A 15 -32.33 66.23 26.14 -33.23 65.12 25.67 -32.78 65.67 25.90 2 0 20.30 -999 ? CA CA A2000 >SER~A 16 -34.73 69.12 26.65 -36.72 68.08 27.42 -35.72 68.60 27.03 2 0 23.23 -999 ? CA CA A2000 >THR~A 17 -32.10 71.46 27.95 -31.78 70.93 30.01 -31.94 71.19 28.98 2 0 23.83 -999 ? CA CA A2000 >ILE~A 18 -28.90 69.14 25.07 -27.68 68.25 24.94 -28.29 68.70 25.01 3 0 17.99 -999 ? CA CA A2000 >LEU~A 19 -33.50 70.43 22.34 -34.47 69.86 20.44 -33.99 70.14 21.39 3 0 16.78 -999 ? CA CA A2000 >LEU~A 20 -33.29 74.75 25.24 -33.86 76.77 25.88 -33.58 75.76 25.56 3 0 21.54 -999 ? CA CA A2000 >LEU~A 21 -28.19 74.71 25.28 -27.62 75.26 27.33 -27.91 74.99 26.30 3 0 20.40 -999 ? CA CA A2000 >VAL~A 22 -28.62 74.39 20.77 -27.96 72.72 19.69 -28.29 73.55 20.23 3 0 14.39 -999 ? CA CA A2000 >ALA~A 23 -31.71 76.38 19.52 -33.21 76.27 20.01 -32.46 76.32 19.76 2 0 17.15 -999 ? CA CA A2000 >GLU~A 24 -31.47 79.54 23.61 -31.24 79.74 25.73 -31.36 79.64 24.67 2 0 22.65 -999 ? CA CA A2000 >LYS~A 25 -26.86 79.13 19.68 -21.85 80.42 22.83 -24.35 79.78 21.26 2 0 20.09 -999 ? CA CA A2000 >PRO.A 26 -26.90 77.79 15.62 -25.97 77.03 17.52 -26.43 77.41 16.57 3 0 13.21 -999 ? CA CA A2000 >SER.A 27 -22.44 74.87 18.64 -21.04 75.61 20.55 -21.74 75.24 19.60 2 0 15.76 -999 ? CA CA A2000 >HIS~A 28 -17.88 72.82 19.56 -16.70 74.31 20.46 -17.29 73.57 20.01 3 0 15.88 -999 ? CA CA A2000 >GLY~A 29 -20.12 69.30 22.10 -19.83 70.00 22.04 -19.98 69.65 22.07 1 0 15.65 -999 ? CA CA A2000 >TYR~A 30 -14.95 71.86 24.71 -13.31 73.16 26.68 -14.13 72.51 25.70 3 0 21.85 -999 ? CA CA A2000 >GLU~A 31 -19.23 76.89 23.54 -21.35 77.31 23.88 -20.29 77.10 23.71 2 0 19.33 -999 ? CA CA A2000 >LEU~A 32 -23.06 71.97 24.18 -24.39 72.81 22.58 -23.73 72.39 23.38 3 0 16.69 -999 ? CA CA A2000 >ALA~A 33 -20.84 71.41 28.11 -19.57 70.60 28.10 -20.21 71.00 28.10 2 0 21.65 -999 ? CA CA A2000 >GLU~A 34 -17.57 75.22 28.51 -16.31 76.54 27.45 -16.94 75.88 27.98 2 0 23.54 -999 ? CA CA A2000 >ARG~A 35 -23.49 77.97 25.72 -25.34 77.36 23.28 -24.41 77.66 24.50 2 0 18.47 -999 ? CA CA A2000 >LEU~A 36 -24.50 71.68 29.89 -26.13 70.32 30.00 -25.31 71.00 29.95 3 0 22.82 -999 ? CA CA A2000 >ALA~A 37 -22.53 73.28 33.56 -21.04 73.47 33.50 -21.78 73.38 33.53 2 0 27.04 -999 ? CA CA A2000 >GLU~A 38 -23.61 78.08 32.29 -24.24 79.98 31.59 -23.92 79.03 31.94 2 0 27.05 -999 ? CA CA A2000 >PHE.A 39 -28.81 74.48 32.27 -31.27 74.91 31.06 -30.04 74.70 31.66 3 0 25.71 -999 ? CA CA A2000 >GLY.A 40 -26.72 72.88 36.93 -27.40 72.97 36.48 -27.06 72.92 36.71 1 0 30.05 -999 ? CA CA A2000 >ILE.A 41 -29.66 70.85 39.76 -29.15 69.69 39.96 -29.40 70.27 39.86 3 0 32.91 -999 ? CA CA A2000 >GLU.A 42 -33.24 76.28 41.87 -31.31 77.14 41.90 -32.27 76.71 41.89 2 0 36.30 -999 ? CA CA A2000 >ILE.A 43 -34.18 69.69 39.38 -35.54 69.89 38.92 -34.86 69.79 39.15 3 0 33.35 -999 ? CA CA A2000 >PRO.A 44 -35.36 68.77 44.79 -33.82 68.20 43.26 -34.59 68.48 44.03 3 0 37.93 -999 ? CA CA A2000 >GLY.A 45 -31.46 64.64 42.75 -31.39 65.23 42.27 -31.42 64.94 42.51 1 0 36.17 -999 ? CA CA A2000 >ILE.A 46 -31.54 66.02 38.09 -32.38 66.84 37.49 -31.96 66.43 37.79 3 0 31.29 -999 ? CA CA A2000 >GLY.A 47 -27.00 66.87 38.95 -27.65 67.07 38.38 -27.33 66.97 38.67 1 0 31.72 -999 ? CA CA A2000 >HIS.A 48 -24.61 63.43 36.65 -23.55 61.97 37.72 -24.08 62.70 37.18 3 0 30.37 -999 ? CA CA A2000 >MET.A 49 -25.14 66.54 33.71 -28.64 68.19 33.46 -26.89 67.36 33.59 2 0 26.39 -999 ? CA CA A2000 >GLY.A 50 -23.06 64.38 31.22 -23.82 64.70 30.84 -23.44 64.54 31.03 1 0 24.28 -999 ? CA CA A2000 >ASN~A 51 -22.88 61.14 27.42 -21.34 60.75 25.93 -22.11 60.94 26.67 2 0 20.36 -999 ? CA CA A2000 >ILE~A 52 -22.77 67.01 26.04 -23.40 68.40 26.45 -23.09 67.71 26.25 3 0 19.04 -999 ? CA CA A2000 >TYR~A 53 -19.56 64.58 22.40 -17.57 66.57 22.11 -18.57 65.58 22.26 3 0 16.50 -999 ? CA CA A2000 >ARG~A 54 -24.55 57.53 24.53 -25.03 54.56 25.14 -24.79 56.05 24.84 2 0 22.37 -999 ? CA CA A2000 >VAL~A 55 -27.64 62.94 23.35 -28.10 63.97 25.33 -27.87 63.45 24.34 3 0 17.87 -999 ? CA CA A2000 >LEU~A 56 -25.28 66.16 20.47 -24.89 68.13 21.23 -25.08 67.15 20.85 3 0 13.57 -999 ? CA CA A2000 >ALA~A 57 -25.93 62.22 18.30 -24.89 61.04 18.45 -25.41 61.63 18.38 2 0 13.18 -999 ? CA CA A2000 >ASP~A 58 -29.65 60.71 21.00 -28.79 58.80 21.69 -29.22 59.75 21.34 2 0 17.51 -999 ? CA CA A2000 >LEU~A 59 -30.93 65.55 19.52 -31.91 66.34 21.33 -31.42 65.95 20.42 3 0 14.72 -999 ? CA CA A2000 >GLU~A 60 -27.50 64.71 13.64 -25.39 64.41 13.25 -26.44 64.56 13.45 2 0 6.99 -999 ? CA CA A2000 >GLU~A 61 -30.67 58.27 14.60 -29.58 56.55 15.26 -30.12 57.41 14.93 2 0 14.71 -999 ? CA CA A2000 >SER~A 62 -33.99 61.70 15.36 -34.05 60.55 17.54 -34.02 61.12 16.45 2 0 15.55 -999 ? CA CA A2000 >GLY.A 63 -33.85 64.72 13.01 -33.90 64.86 13.85 -33.88 64.79 13.43 1 0 10.99 -999 ? CA CA A2000 >PHE.A 64 -35.71 66.13 17.33 -37.89 64.38 17.65 -36.80 65.26 17.49 3 0 15.77 -999 ? CA CA A2000 >LEU^A 65 -29.75 68.32 16.08 -29.59 69.39 18.01 -29.67 68.85 17.04 3 0 10.78 -999 ? CA CA A2000 >SER^A 66 -28.66 69.01 11.81 -28.92 71.17 10.82 -28.79 70.09 11.32 2 0 6.05 -999 ? CA CA A2000 >THR^A 67 -24.84 69.10 11.68 -23.99 67.25 12.28 -24.42 68.18 11.98 2 0 -5.15 -999 ? CA CA A2000s >GLU^A 68 -21.68 72.71 7.97 -22.56 74.40 7.06 -22.12 73.55 7.52 2 0 6.80 -999 ? CA CA A2000 >TRP^A 69 -18.37 67.49 9.77 -16.24 66.57 13.00 -17.30 67.03 11.39 3 0 8.85 -999 ? CA CA A2000 >ASP^A 70 -16.68 74.92 12.40 -15.53 76.77 12.40 -16.11 75.84 12.40 2 0 13.88 -999 ? CA CA A2000 >THR.A 71 -13.17 73.38 9.36 -13.84 72.56 7.46 -13.51 72.97 8.41 2 0 12.10 -999 ? CA CA A2000 >THR.A 72 -11.77 76.95 10.01 -13.40 78.46 9.94 -12.58 77.71 9.98 2 0 15.85 -999 ? CA CA A2000 >VAL.A 73 -10.49 75.91 13.39 -12.25 76.20 14.67 -11.37 76.05 14.03 3 0 17.22 -999 ? CA CA A2000 >SER.A 74 -8.16 73.22 14.49 -5.86 72.54 14.35 -7.01 72.88 14.42 2 0 20.95 -999 ? CA CA A2000 >PRO.A 75 -9.41 69.73 17.45 -8.84 71.16 15.80 -9.12 70.44 16.63 3 0 18.63 -999 ? CA CA A2000 >PRO.A 76 -11.17 69.67 11.59 -11.75 70.82 13.51 -11.46 70.25 12.55 3 0 14.76 -999 ? CA CA A2000 >ARG^A 77 -14.37 71.72 18.10 -12.73 71.29 20.67 -13.55 71.50 19.39 2 0 18.47 -999 ? CA CA A2000 >LYS^A 78 -18.99 69.62 14.33 -21.33 64.14 12.45 -20.16 66.88 13.39 2 0 7.48 -999 ? CA CA A2000 >ILE^A 79 -21.63 73.68 14.00 -21.12 74.57 15.08 -21.37 74.13 14.54 3 0 10.13 -999 ? CA CA A2000 >TYR^A 80 -24.78 69.31 17.19 -23.32 66.90 17.19 -24.05 68.10 17.19 3 0 9.93 -999 ? CA CA A2000 >ARG^A 81 -28.54 75.76 11.60 -31.21 76.62 10.40 -29.88 76.19 11.00 2 0 10.95 -999 ? CA CA A2000 >ILE^A 82 -32.93 73.61 16.54 -34.08 74.01 17.13 -33.51 73.81 16.83 3 0 13.94 -999 ? CA CA A2000 >THR~A 83 -34.24 71.70 12.57 -33.88 69.59 12.47 -34.06 70.64 12.52 2 0 10.31 -999 ? CA CA A2000 >PRO~A 84 -37.49 73.10 9.73 -37.35 72.52 12.01 -37.42 72.81 10.87 3 0 13.68 -999 ? CA CA A2000 >GLN~A 85 -39.11 67.55 11.48 -41.33 67.66 11.34 -40.22 67.60 11.41 2 0 16.74 -999 ? CA CA A2000 >GLY~A 86 -36.71 69.92 16.54 -37.37 70.43 16.27 -37.04 70.18 16.41 1 0 14.96 -999 ? CA CA A2000 >LYS~A 87 -38.64 73.05 17.12 -37.60 78.90 15.35 -38.12 75.98 16.23 2 0 18.39 -999 ? CA CA A2000 >LEU~A 88 -42.49 70.24 15.83 -43.81 71.12 14.27 -43.15 70.68 15.05 3 0 19.82 -999 ? CA CA A2000 >TYR~A 89 -38.77 66.82 20.44 -37.92 64.95 22.33 -38.35 65.88 21.38 3 0 19.46 -999 ? CA CA A2000 >LEU~A 90 -38.66 72.79 21.16 -36.84 73.52 22.27 -37.75 73.16 21.72 3 0 19.84 -999 ? CA CA A2000 >ARG~A 91 -44.65 74.53 18.38 -44.35 77.58 17.87 -44.50 76.05 18.13 2 0 23.93 -999 ? CA CA A2000 >GLU~A 92 -44.60 67.76 21.09 -44.16 65.68 20.49 -44.38 66.72 20.79 2 0 23.31 -999 ? CA CA A2000 >ILE~A 93 -40.01 70.21 25.61 -38.72 69.98 25.69 -39.37 70.09 25.65 3 0 23.33 -999 ? CA CA A2000 >LEU~A 94 -42.86 74.55 25.35 -43.39 76.65 25.78 -43.12 75.60 25.57 3 0 26.74 -999 ? CA CA A2000 >ARG~A 95 -49.48 70.49 25.28 -51.34 71.59 23.08 -50.41 71.04 24.18 2 0 30.83 -999 ? CA CA A2000 >SER~A 96 -45.18 69.58 29.35 -44.90 67.42 28.44 -45.04 68.50 28.90 2 0 28.98 -999 ? CA CA A2000 >LEU~A 97 -42.12 73.14 30.81 -39.96 72.75 30.70 -41.04 72.95 30.76 3 0 28.77 -999 ? CA CA A2000 >GLU~A 98 -48.67 75.42 31.17 -48.52 76.69 32.88 -48.59 76.05 32.02 2 0 35.73 -999 ? CA CA A2000 >ASP~A 99 -47.96 69.39 32.12 -49.24 69.21 30.47 -48.60 69.30 31.30 2 0 33.48 -999 ? CA CA A2000 >MET~A 100 -45.30 70.29 35.39 -41.54 68.97 34.15 -43.42 69.63 34.77 2 0 31.49 -999 ? CA CA A2000 >LYS~A 101 -45.50 73.81 36.61 -45.92 79.40 34.33 -45.71 76.60 35.47 2 0 35.95 -999 ? CA CA A2000 >ARG~A 102 -52.76 73.18 35.19 -51.43 72.50 32.42 -52.09 72.84 33.80 2 0 36.66 -999 ? CA CA A2000 >ARG~A 103 -49.15 67.58 40.12 -50.76 65.80 41.96 -49.95 66.69 41.04 2 0 43.18 -999 ? CA CA A2000 >ILE~A 104 -44.74 72.59 40.83 -43.34 72.74 40.68 -44.04 72.66 40.75 3 0 38.71 -999 ? CA CA A2000 >GLU~A 105 -47.93 76.62 40.37 -48.85 78.00 38.94 -48.39 77.31 39.65 2 0 40.78 -999 ? CA CA A2000 >THR~A 106 -51.28 72.47 43.14 -51.90 71.04 41.60 -51.59 71.76 42.37 2 0 43.63 -999 ? CA CA A2000 >LEU~A 107 -47.50 70.28 45.29 -47.30 68.23 45.03 -47.40 69.25 45.16 3 0 43.95 -999 ? CA CA A2000 >GLU~A 108 -45.64 75.19 45.47 -44.93 76.92 44.47 -45.28 76.06 44.97 2 0 43.04 -999 ? CA CA A2000 >GLU~A 109 -51.83 76.78 45.85 -51.00 78.57 46.84 -51.41 77.68 46.35 2 0 48.41 -999 ? CA CA A2000 >ARG~A 110 -53.14 69.16 46.97 -52.29 66.16 46.90 -52.72 67.66 46.94 2 0 48.08 -999 ? CA CA A2000 >ILE~A 111 -47.38 72.22 50.99 -46.08 71.67 50.89 -46.73 71.94 50.94 3 0 48.86 -999 ? CA CA A2000 >LYS~A 112 -49.52 75.77 52.57 -47.37 79.31 48.00 -48.44 77.54 50.29 2 0 47.73 -999 ? CA CA A2000 >ARG~A 113 -56.06 74.66 51.24 -55.25 74.22 48.22 -55.65 74.44 49.73 2 0 51.20 -999 ? CA CA A2000 >VAL~A 114 -51.57 71.99 56.01 -50.86 70.08 55.09 -51.22 71.04 55.55 3 0 54.94 -999 ? CA CA A2000 >LEU~A 115 -47.74 74.98 56.51 -45.79 73.94 56.22 -46.77 74.46 56.36 3 0 54.01 -999 ? CA CA A2000 >GLN~A 116 -51.59 78.87 56.19 -52.61 79.51 54.40 -52.10 79.19 55.29 2 0 55.73 -999 ? CA CA A2000 >GLU~A 117 -54.79 72.67 58.33 -55.00 70.60 57.69 -54.90 71.63 58.01 2 0 58.64 -999 ? CA CA A2000