REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-08 3E0H COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; SOURCE 3 ORGANISM_TAXID: 1097; SOURCE 4 GENE: CT0179; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PET 21 AUTHOR J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, AUTHOR 2 R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 28 8 HET MSE A 64 8 HET MSE A 117 8 HET MSE A 154 8 >GLN.A 6 45.55 41.71 -19.47 45.32 43.76 -18.91 45.44 42.73 -19.19 2 0 1000.00 -999 ? >PHE.A 7 44.11 40.23 -15.70 43.75 43.00 -15.54 43.93 41.62 -15.62 3 0 1000.00 -999 ? >VAL.A 8 46.63 34.91 -14.73 48.58 34.00 -14.35 47.60 34.45 -14.54 3 0 1000.00 -999 ? >CYH^A 9 43.44 33.17 -13.58 41.85 35.09 -14.82 42.65 34.13 -14.20 2 0 1000.00 -999 ? >GLU^A 10 45.90 30.08 -11.16 47.41 30.05 -9.69 46.65 30.06 -10.42 2 0 1000.00 -999 ? >LEU^A 11 40.53 26.19 -10.53 38.85 24.98 -9.88 39.69 25.59 -10.21 3 0 1000.00 -999 ? >LYS^A 12 41.53 27.52 -6.17 46.92 27.73 -6.42 44.22 27.63 -6.29 2 0 1000.00 -999 ? >GLU^A 13 39.68 23.11 -4.11 37.74 22.55 -3.49 38.71 22.83 -3.80 2 0 1000.00 -999 ? >LEU^A 14 39.02 29.27 -0.43 39.48 30.95 -1.72 39.25 30.11 -1.08 3 0 1000.00 -999 ? >ALA.A 15 40.30 26.59 3.14 41.63 25.97 3.60 40.97 26.28 3.37 2 0 1000.00 -999 ? >PRO.A 16 36.97 26.71 6.01 38.59 28.04 5.33 37.78 27.37 5.67 3 0 1000.00 -999 ? >VAL.A 17 40.01 30.07 8.86 41.80 30.91 7.95 40.91 30.49 8.40 3 0 1000.00 -999 ? >PRO^A 18 39.58 30.50 13.13 38.93 31.65 11.34 39.26 31.08 12.24 3 0 1000.00 -999 ? >ALA^A 19 37.52 35.72 11.09 37.06 35.89 9.65 37.29 35.81 10.37 2 0 1000.00 -999 ? >LEU^A 20 36.72 39.62 13.73 36.69 39.40 15.88 36.71 39.51 14.80 3 0 1000.00 -999 ? >LEU^A 21 32.84 39.10 9.49 33.79 37.49 8.47 33.32 38.30 8.98 3 0 1000.00 -999 ? >ILE^A 22 30.91 44.13 9.73 30.84 45.47 10.28 30.88 44.80 10.01 3 0 1000.00 -999 ? >ARG^A 23 27.96 37.48 8.37 29.10 35.10 9.89 28.53 36.29 9.13 2 0 1000.00 -999 ? >THR^A 24 25.34 43.78 6.30 25.74 45.92 6.49 25.54 44.85 6.39 2 0 1000.00 -999 ? >GLN^A 25 21.78 43.22 3.04 21.21 42.55 1.09 21.49 42.89 2.06 2 0 1000.00 -999 ? >THR^A 26 24.51 48.42 1.77 26.55 49.11 1.70 25.53 48.76 1.73 2 0 1000.00 -999 ? >THR~A 27 24.27 50.75 -1.21 22.70 52.11 -0.59 23.49 51.43 -0.90 2 0 1000.00 -999 ? >MET?A 28 27.23 52.17 -3.15 29.44 50.51 -5.07 28.34 51.34 -4.11 2 0 1000.00 -999 ? >SER~A 29 26.96 55.63 -1.59 24.63 56.06 -1.04 25.79 55.85 -1.32 2 0 1000.00 -999 ? >GLU~A 30 24.84 54.34 2.40 23.13 53.21 2.94 23.99 53.77 2.67 2 0 1000.00 -999 ? >LEU~A 31 30.36 51.02 -0.16 31.27 49.07 -0.41 30.82 50.05 -0.28 3 0 1000.00 -999 ? >GLY~A 32 33.05 53.92 1.80 32.44 53.73 2.31 32.74 53.82 2.06 1 0 1000.00 -999 ? >SER~A 33 31.92 55.07 5.25 30.91 57.25 4.83 31.42 56.16 5.04 2 0 1000.00 -999 ? >LEU~A 34 29.95 50.65 5.22 28.99 48.83 5.87 29.47 49.74 5.55 3 0 1000.00 -999 ? >PHE~A 35 34.60 48.91 3.24 33.90 46.78 1.54 34.25 47.84 2.39 3 0 1000.00 -999 ? >GLU~A 36 36.76 55.39 7.68 36.57 57.39 7.04 36.66 56.39 7.36 2 0 1000.00 -999 ? >ALA~A 37 34.09 52.59 10.47 32.66 53.12 10.68 33.38 52.85 10.57 2 0 1000.00 -999 ? >GLY~A 38 33.74 48.81 10.35 34.42 49.19 10.27 34.08 49.00 10.31 1 0 1000.00 -999 ? >TYR~A 39 37.99 47.26 7.34 37.59 45.63 5.09 37.79 46.45 6.21 3 0 1000.00 -999 ? >HIS~A 40 38.44 52.43 13.86 38.95 53.26 15.71 38.69 52.84 14.78 3 0 1000.00 -999 ? >ASP~A 41 34.24 48.35 14.36 33.00 47.62 15.91 33.62 47.99 15.14 2 0 1000.00 -999 ? >ILE~A 42 37.30 44.47 12.83 36.95 43.45 11.89 37.12 43.96 12.36 3 0 1000.00 -999 ? >LEU~A 43 41.45 47.50 13.95 42.63 47.03 12.21 42.04 47.26 13.08 3 0 1000.00 -999 ? >GLN~A 44 37.51 49.37 17.94 36.47 48.50 19.58 36.99 48.94 18.76 2 0 1000.00 -999 ? >LEU~A 45 36.83 44.51 18.48 35.34 43.23 19.35 36.08 43.87 18.91 3 0 1000.00 -999 ? >LEU~A 46 41.70 42.79 17.35 41.20 41.17 16.00 41.45 41.98 16.68 3 0 1000.00 -999 ? >ALA~A 47 43.30 45.69 20.31 43.46 47.15 19.84 43.38 46.42 20.08 2 0 1000.00 -999 ? >GLY~A 48 41.01 45.84 23.32 41.39 45.18 22.99 41.20 45.51 23.16 1 0 1000.00 -999 ? >GLN~A 49 39.22 41.32 23.01 38.08 40.10 21.69 38.65 40.71 22.35 2 0 1000.00 -999 ? >GLY.A 50 45.28 42.48 23.32 44.77 42.16 22.77 45.03 42.32 23.05 1 0 1000.00 -999 ? >LYS.A 51 45.18 40.81 19.91 41.94 37.59 23.68 43.56 39.20 21.80 2 0 1000.00 -999 ? >SER.A 52 45.62 41.64 16.22 47.96 41.02 15.96 46.79 41.33 16.09 2 0 1000.00 -999 ? >PRO.A 53 43.87 42.49 12.38 44.69 40.69 13.39 44.28 41.59 12.89 3 0 1000.00 -999 ? >SER.A 54 46.27 37.18 11.49 44.60 35.42 11.60 45.44 36.30 11.55 2 0 1000.00 -999 ? >GLY.A 55 45.74 37.99 7.83 45.48 38.65 8.28 45.61 38.32 8.05 1 0 1000.00 -999 ? >PRO.A 56 45.51 39.24 3.66 45.19 40.16 5.64 45.35 39.70 4.65 3 0 1000.00 -999 ? >PRO.A 57 42.76 44.47 4.80 42.26 42.35 5.29 42.51 43.41 5.04 3 0 1000.00 -999 ? >PHE^A 58 38.26 39.03 3.82 36.87 37.83 5.91 37.57 38.43 4.87 3 0 1000.00 -999 ? >ALA^A 59 35.36 41.79 1.64 35.15 43.24 1.17 35.25 42.51 1.41 2 0 1000.00 -999 ? >ARG^A 60 32.77 36.36 2.46 31.81 33.46 2.19 32.29 34.91 2.33 2 0 1000.00 -999 ? >TYR^A 61 31.73 43.05 -2.78 33.64 44.85 -1.83 32.69 43.95 -2.31 3 0 1000.00 -999 ? >PHE^A 62 26.22 37.16 -2.88 25.69 34.62 -3.93 25.95 35.89 -3.40 3 0 1000.00 -999 ? >GLY.A 63 24.08 41.28 -5.32 24.84 41.40 -5.65 24.46 41.34 -5.49 1 0 1000.00 -999 ? >MET?A 64 23.78 44.24 -7.69 20.62 43.77 -10.47 22.20 44.01 -9.08 2 0 1000.00 -999 ? >SER.A 65 25.97 47.30 -7.18 26.98 47.87 -9.32 26.47 47.59 -8.25 2 0 1000.00 -999 ? >ALA.A 66 23.05 49.26 -8.63 22.34 48.89 -9.94 22.69 49.08 -9.29 2 0 1000.00 -999 ? >GLY.A 67 20.88 48.57 -5.59 21.67 48.38 -5.45 21.27 48.47 -5.52 1 0 1000.00 -999 ? >THR.A 68 21.26 47.23 -2.06 20.02 47.64 -0.35 20.64 47.43 -1.20 2 0 1000.00 -999 ? >PHE^A 69 25.86 45.70 -2.88 27.66 47.81 -2.52 26.76 46.76 -2.70 3 0 1000.00 -999 ? >GLU^A 70 25.60 39.82 1.80 24.41 40.04 3.53 25.00 39.93 2.67 2 0 1000.00 -999 ? >VAL^A 71 28.77 42.93 1.89 29.53 44.92 2.37 29.15 43.92 2.13 3 0 1000.00 -999 ? >GLU^A 72 28.75 39.17 4.10 28.01 37.21 4.28 28.38 38.19 4.19 2 0 1000.00 -999 ? >PHE^A 73 33.54 44.58 5.78 32.36 46.61 7.30 32.95 45.60 6.54 3 0 1000.00 -999 ? >GLY^A 74 36.72 41.83 8.13 37.06 41.63 7.43 36.89 41.73 7.78 1 0 1000.00 -999 ? >PHE^A 75 41.15 42.52 9.71 41.78 45.18 9.14 41.46 43.85 9.42 3 0 1000.00 -999 ? >PRO^A 76 41.87 36.84 7.26 41.06 37.37 9.27 41.47 37.11 8.26 3 0 1000.00 -999 ? >VAL.A 77 42.04 36.04 13.13 40.19 36.85 13.99 41.12 36.45 13.56 3 0 1000.00 -999 ? >GLU.A 78 44.71 34.65 17.12 46.40 35.10 18.31 45.56 34.88 17.72 2 0 1000.00 -999 ? >GLY.A 79 40.60 32.54 16.81 41.18 32.98 17.24 40.89 32.76 17.02 1 0 1000.00 -999 ? >GLY.A 80 39.58 32.53 20.45 39.40 33.16 19.92 39.49 32.84 20.18 1 0 1000.00 -999 ? >VAL.A 81 38.58 36.16 20.01 39.68 37.69 18.93 39.13 36.92 19.47 3 0 1000.00 -999 ? >GLU.A 82 34.66 36.02 22.98 33.57 36.00 24.80 34.11 36.01 23.89 2 0 1000.00 -999 ? >GLY.A 83 32.71 39.46 18.76 32.68 39.38 19.61 32.70 39.42 19.19 1 0 1000.00 -999 ? >SER.A 84 30.85 42.48 20.08 31.20 44.19 21.77 31.02 43.34 20.92 2 0 1000.00 -999 ? >GLY.A 85 28.18 44.80 18.78 28.41 44.05 18.49 28.30 44.43 18.63 1 0 1000.00 -999 ? >ARG.A 86 27.65 46.96 11.93 26.88 48.52 9.42 27.26 47.74 10.67 2 0 1000.00 -999 ? >VAL.A 87 31.25 42.49 14.85 33.30 43.19 14.94 32.27 42.84 14.90 3 0 1000.00 -999 ? >VAL^A 88 30.72 38.72 14.77 28.94 38.64 13.50 29.83 38.68 14.13 3 0 1000.00 -999 ? >THR^A 89 32.91 35.63 14.69 32.87 34.71 16.65 32.89 35.17 15.67 2 0 1000.00 -999 ? >GLY^A 90 32.83 33.62 11.48 33.65 33.69 11.72 33.24 33.66 11.60 1 0 1000.00 -999 ? >LEU^A 91 34.66 30.63 8.45 34.77 28.99 9.84 34.71 29.81 9.14 3 0 1000.00 -999 ? >THR.A 92 36.78 33.27 5.66 38.92 33.19 5.99 37.85 33.23 5.83 2 0 1000.00 -999 ? >PRO.A 93 36.36 33.55 1.30 35.66 32.23 2.94 36.01 32.89 2.12 3 0 1000.00 -999 ? >SER.A 94 35.47 28.07 1.70 33.56 27.25 2.94 34.51 27.66 2.32 2 0 1000.00 -999 ? >GLY^A 95 34.92 26.22 -1.55 35.62 26.62 -1.50 35.27 26.42 -1.52 1 0 1000.00 -999 ? >LYS^A 96 36.02 26.62 -5.16 35.42 20.99 -8.05 35.72 23.81 -6.60 2 0 1000.00 -999 ? >ALA^A 97 36.76 29.96 -6.82 37.03 30.97 -5.71 36.89 30.46 -6.26 2 0 1000.00 -999 ? >ALA^A 98 38.36 31.42 -9.92 37.57 31.76 -11.19 37.97 31.59 -10.56 2 0 1000.00 -999 ? >SER^A 99 41.09 33.73 -8.65 42.14 34.42 -6.57 41.61 34.07 -7.61 2 0 1000.00 -999 ? >SER^A 100 43.50 36.29 -10.02 44.03 37.47 -12.06 43.76 36.88 -11.04 2 0 1000.00 -999 ? >LEU^A 101 47.30 38.43 -8.08 48.72 39.61 -6.97 48.01 39.02 -7.53 3 0 1000.00 -999 ? >TYR^A 102 43.59 44.28 -10.16 43.41 46.93 -11.04 43.50 45.61 -10.60 3 0 1000.00 -999 ? >ILE^A 103 49.20 44.78 -9.56 50.57 44.63 -8.94 49.89 44.71 -9.25 3 0 1000.00 -999 ? >GLY.A 104 46.84 48.78 -9.79 46.45 48.48 -9.13 46.65 48.63 -9.46 1 0 1000.00 -999 ? >PRO~A 105 44.50 52.28 -10.90 44.82 51.06 -9.08 44.66 51.67 -9.99 3 0 1000.00 -999 ? >TYR~A 106 39.48 49.11 -5.57 37.28 47.49 -5.03 38.38 48.30 -5.30 3 0 1000.00 -999 ? >GLY~A 107 38.89 51.78 -9.61 39.39 51.22 -9.83 39.14 51.50 -9.72 1 0 1000.00 -999 ? >GLU~A 108 41.55 51.82 -13.69 40.39 52.40 -15.35 40.97 52.11 -14.52 2 0 1000.00 -999 ? >ILE~A 109 39.28 46.23 -9.73 38.82 45.51 -8.64 39.05 45.87 -9.19 3 0 1000.00 -999 ? >GLU~A 110 34.66 46.07 -15.17 35.24 45.39 -17.09 34.95 45.73 -16.13 2 0 1000.00 -999 ? >ALA~A 111 39.45 44.46 -16.04 40.79 45.16 -16.27 40.12 44.81 -16.16 2 0 1000.00 -999 ? >VAL~A 112 40.30 41.42 -13.91 40.90 41.02 -11.83 40.60 41.22 -12.87 3 0 1000.00 -999 ? >TYR~A 113 35.53 41.66 -11.33 35.56 41.68 -8.54 35.54 41.67 -9.94 3 0 1000.00 -999 ? >ASP~A 114 36.26 41.62 -18.10 35.66 41.10 -20.06 35.96 41.36 -19.08 2 0 1000.00 -999 ? >ALA~A 115 39.08 38.16 -17.39 40.51 38.52 -17.01 39.79 38.34 -17.20 2 0 1000.00 -999 ? >LEU~A 116 37.59 36.44 -13.11 39.10 36.28 -11.60 38.35 36.36 -12.36 3 0 1000.00 -999 ? >MET?A 117 34.34 35.67 -16.04 31.55 38.77 -15.13 32.94 37.22 -15.58 2 0 1000.00 -999 ? >LYS~A 118 35.85 34.69 -19.39 40.24 35.63 -20.62 38.04 35.16 -20.00 2 0 1000.00 -999 ? >TRP~A 119 40.93 30.72 -16.43 39.11 28.59 -13.66 40.02 29.66 -15.04 3 0 1000.00 -999 ? >VAL~A 120 34.92 30.68 -15.79 33.74 31.28 -14.06 34.33 30.98 -14.93 3 0 1000.00 -999 ? >ASP~A 121 32.61 31.30 -20.03 31.45 32.85 -19.19 32.03 32.07 -19.61 2 0 1000.00 -999 ? >ASP~A 122 37.19 29.18 -21.16 36.80 30.73 -22.54 36.99 29.96 -21.85 2 0 1000.00 -999 ? >ASN~A 123 37.33 26.55 -16.57 39.35 26.90 -17.16 38.34 26.72 -16.87 2 0 1000.00 -999 ? >GLY.A 124 32.90 24.76 -17.42 33.23 25.23 -16.91 33.07 25.00 -17.16 1 0 1000.00 -999 ? >PHE.A 125 34.19 25.97 -12.67 35.89 24.03 -11.59 35.04 25.00 -12.13 3 0 1000.00 -999 ? >ASP.A 126 27.81 27.58 -12.66 26.10 28.81 -12.68 26.96 28.20 -12.67 2 0 1000.00 -999 ? >LEU^A 127 29.36 32.98 -11.48 30.89 33.88 -12.70 30.13 33.43 -12.09 3 0 1000.00 -999 ? >SER^A 128 27.81 31.61 -7.42 29.18 32.43 -5.58 28.49 32.02 -6.50 2 0 1000.00 -999 ? >GLY^A 129 27.39 35.36 -7.87 28.01 35.11 -7.39 27.70 35.23 -7.63 1 0 1000.00 -999 ? >GLU^A 130 30.37 36.12 -2.47 30.00 35.10 -0.64 30.19 35.61 -1.56 2 0 1000.00 -999 ? >ALA^A 131 32.97 38.11 -5.35 33.00 39.42 -6.13 32.99 38.76 -5.74 2 0 1000.00 -999 ? >TYR^A 132 37.04 36.23 -1.23 38.85 35.64 0.82 37.94 35.93 -0.20 3 0 1000.00 -999 ? >GLU^A 133 37.19 42.01 -4.31 36.90 43.99 -5.07 37.04 43.00 -4.69 2 0 1000.00 -999 ? >ILE^A 134 42.41 39.10 -0.38 42.86 37.90 0.21 42.64 38.50 -0.09 3 0 1000.00 -999 ? >TYR^A 135 41.06 45.03 0.15 38.46 45.02 -0.92 39.76 45.03 -0.38 3 0 1000.00 -999 ? >LEU.A 136 47.67 42.09 -0.67 47.48 39.96 -1.05 47.58 41.03 -0.86 3 0 1000.00 -999 ? >ASP.A 137 48.83 47.00 -0.85 50.36 45.70 -1.47 49.59 46.35 -1.16 2 0 1000.00 -999 ? >ASN.A 138 46.80 49.85 3.52 45.26 51.01 4.41 46.03 50.43 3.97 2 0 1000.00 -999 ? >PRO.A 139 43.61 51.94 0.08 45.82 51.71 -0.02 44.71 51.83 0.03 3 0 1000.00 -999 ? >ALA.A 140 46.89 54.83 2.14 46.44 54.81 3.60 46.66 54.82 2.87 2 0 1000.00 -999 ? >GLU.A 141 50.96 51.82 3.54 51.71 51.17 5.39 51.34 51.50 4.46 2 0 1000.00 -999 ? >THR.A 142 50.93 52.13 -1.36 49.88 50.31 -0.82 50.40 51.22 -1.09 2 0 1000.00 -999 ? >ALA~A 143 51.25 53.70 -4.80 52.56 53.94 -5.53 51.91 53.82 -5.16 2 0 1000.00 -999 ? >PRO~A 144 47.82 55.08 -7.10 48.85 53.14 -6.74 48.33 54.11 -6.92 3 0 1000.00 -999 ? >ASP~A 145 51.85 51.64 -10.31 51.24 53.24 -11.53 51.54 52.44 -10.92 2 0 1000.00 -999 ? >GLN~A 146 54.27 49.27 -6.79 54.35 51.18 -7.73 54.31 50.22 -7.26 2 0 1000.00 -999 ? >LEU.A 147 47.26 49.17 -5.07 45.79 49.58 -3.53 46.53 49.38 -4.30 3 0 1000.00 -999 ? >ARG^A 148 50.92 42.55 -4.30 52.03 42.18 -1.46 51.48 42.37 -2.88 2 0 1000.00 -999 ? >THR^A 149 44.09 43.03 -4.70 42.40 44.37 -4.66 43.25 43.70 -4.68 2 0 1000.00 -999 ? >ARG^A 150 43.84 36.13 -4.96 46.13 34.93 -6.53 44.99 35.53 -5.74 2 0 1000.00 -999 ? >VAL^A 151 40.09 38.93 -6.69 39.20 40.42 -8.00 39.65 39.67 -7.34 3 0 1000.00 -999 ? >SER^A 152 38.10 35.70 -6.62 39.89 34.76 -5.25 38.99 35.23 -5.93 2 0 1000.00 -999 ? >LEU^A 153 34.39 34.92 -9.58 34.13 36.75 -10.64 34.26 35.83 -10.11 3 0 1000.00 -999 ? >MET?A 154 33.07 32.10 -6.02 34.70 32.57 -3.05 33.88 32.34 -4.53 2 0 1000.00 -999 ? >LEU^A 155 33.06 28.26 -8.71 34.37 29.07 -10.21 33.71 28.67 -9.46 3 0 1000.00 -999 ? >HIS.A 156 26.74 27.74 -8.14 25.30 28.90 -7.16 26.02 28.32 -7.65 3 0 1000.00 -999 ? >GLU.A 157 30.92 22.73 -6.78 31.34 21.85 -4.91 31.13 22.29 -5.85 2 0 1000.00 -999 ? >SER.A 158 26.74 22.04 -11.45 24.42 21.33 -11.61 25.58 21.69 -11.53 2 0 1000.00 -999 ?