REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 14-SEP-07 2RA9 COMPND UNCHARACTERIZED PROTEIN DUF1285; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 9-157; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA BALTICA; SOURCE 3 ORGANISM_TAXID: 325240; SOURCE 4 STRAIN: OS155; SOURCE 5 GENE: YP_001050848.1, SBAL_2486; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 118 8 HET NA A 158 1 HET EDO A 159 4 HET EDO A 160 4 HET EDO A 161 4 HET EDO A 162 4 HET EDO A 163 4 HET EDO A 164 4 HET EDO A 165 4 SITE 1 AC1 6 ASN A 147 PHE A 149 HOH A 167 HOH A 195 SITE 1 AC2 7 ASP A 35 PRO A 73 VAL A 74 GLU A 75 SITE 1 AC3 3 ASP A 90 CYS A 141 ASN A 144 SITE 1 AC4 4 GLY A 138 ARG A 139 HOH A 175 HOH A 209 SITE 1 AC5 7 ASP A 123 SER A 124 VAL A 125 LEU A 137 SITE 1 AC6 3 SER A 103 GLY A 107 ASP A 122 SITE 1 AC7 4 GLU A 75 ASN A 147 HOH A 167 HOH A 229 SITE 1 AC8 6 SER A 29 ARG A 139 TYR A 142 TYR A 143 >SER.A 29 7.43 22.21 8.01 8.60 24.33 7.85 8.01 23.27 7.93 2 0 -17.08 -999 ? O1 EDO A 159s >GLU.A 30 5.78 17.17 4.62 5.27 17.35 2.55 5.53 17.26 3.58 2 0 9.09 -999 ? O1 EDO A 159 >VAL.A 31 9.56 20.61 3.61 11.70 21.19 3.58 10.63 20.90 3.60 3 0 15.33 -999 ? O1 EDO A 159 >PRO.A 32 7.01 21.57 0.19 8.29 19.87 0.84 7.65 20.72 0.51 3 0 13.50 -999 ? O1 EDO A 159 >LEU.A 33 10.00 15.15 -1.04 10.63 14.39 0.92 10.32 14.77 -0.06 3 0 12.43 -999 ? O1 EDO A 159 >PHE^A 34 7.43 15.53 -5.36 7.24 12.73 -5.43 7.34 14.13 -5.40 3 0 12.69 -999 ? O1 EDO A 159 >ASP^A 35 11.16 21.43 -6.03 11.57 21.49 -3.94 11.37 21.46 -4.99 2 0 -18.12 -999 ? O1 EDO A 159s >ILE^A 36 7.03 22.56 -10.00 5.91 21.97 -10.74 6.47 22.27 -10.37 3 0 12.58 -999 ? O2 EDO A 161 >ASN.A 37 12.10 25.44 -11.22 12.51 24.77 -13.19 12.31 25.10 -12.20 2 0 9.37 -999 ? O2 EDO A 161 >ALA.A 38 9.44 28.61 -12.65 10.10 29.98 -12.53 9.77 29.29 -12.59 2 0 6.93 -999 ? O2 EDO A 161 >LEU.A 39 11.39 26.79 -16.68 12.43 25.10 -17.45 11.91 25.95 -17.06 3 0 6.20 -999 ? O2 EDO A 161 >GLY.A 40 7.90 23.91 -14.98 8.69 23.84 -14.92 8.29 23.88 -14.95 1 0 8.20 -999 ? O2 EDO A 161 >ASP.A 41 12.12 21.63 -14.87 12.29 22.09 -16.92 12.20 21.86 -15.89 2 0 9.35 -999 ? C1 EDO A 161 >TRP^A 42 7.37 19.00 -12.95 4.75 17.31 -10.59 6.06 18.16 -11.77 3 0 14.27 -999 ? C1 EDO A 163 >THR^A 43 12.68 17.56 -8.98 14.04 19.15 -8.51 13.36 18.35 -8.75 2 0 16.73 -999 ? O2 EDO A 161 >TYR^A 44 11.26 12.68 -5.54 10.51 10.98 -3.44 10.89 11.83 -4.49 3 0 14.32 -999 ? O1 EDO A 159 >LEU.A 45 15.01 13.49 -3.06 14.11 12.50 -1.39 14.56 13.00 -2.23 3 0 16.63 -999 ? O1 EDO A 159 >GLY.A 46 16.73 17.44 -5.47 16.44 16.80 -5.81 16.58 17.12 -5.64 1 0 20.81 -999 ? O2 EDO A 161 >THR^A 47 17.01 15.09 -8.48 17.85 13.06 -8.55 17.43 14.07 -8.52 2 0 22.44 -999 ? O1 EDO A 159 >SER^A 48 15.58 16.01 -11.89 15.60 16.65 -14.21 15.59 16.33 -13.05 2 0 16.22 -999 ? C1 EDO A 161 >LEU.A 49 11.12 14.13 -12.33 10.52 13.20 -10.46 10.82 13.67 -11.40 3 0 16.75 -999 ? O1 EDO A 163 >PRO~A 50 13.39 11.03 -16.11 12.38 13.04 -15.90 12.89 12.04 -16.00 3 0 14.99 -999 ? O1 EDO A 163 >ALA~A 51 9.12 14.53 -18.25 9.05 15.02 -19.73 9.09 14.78 -18.99 2 0 9.13 -999 ? O1 EDO A 163 >LYS~A 52 7.21 11.23 -18.19 10.21 5.87 -19.86 8.71 8.55 -19.02 2 0 14.37 -999 ? O1 EDO A 163 >PHE~A 53 9.41 9.22 -13.84 10.03 6.56 -14.26 9.72 7.89 -14.05 3 0 16.10 -999 ? O1 EDO A 163 >ALA~A 54 6.61 14.57 -13.95 7.21 15.79 -14.59 6.91 15.18 -14.27 2 0 12.01 -999 ? O1 EDO A 163 >LYS~A 55 3.53 13.68 -16.08 1.21 12.50 -21.79 2.37 13.09 -18.93 2 0 4.25 -999 ? C2 EDO A 163 >LEU~A 56 3.81 9.50 -13.52 3.43 7.48 -12.77 3.62 8.49 -13.15 3 0 13.92 -999 ? C2 EDO A 163 >PHE~A 57 5.08 12.16 -9.44 6.74 10.10 -8.59 5.91 11.13 -9.01 3 0 14.39 -999 ? O1 EDO A 159 >ALA~A 58 1.01 15.62 -12.35 1.30 16.32 -13.67 1.15 15.97 -13.01 2 0 11.18 -999 ? C2 EDO A 163 >SER~A 59 -1.97 13.24 -12.75 -1.33 10.88 -12.38 -1.65 12.06 -12.57 2 0 13.17 -999 ? C2 EDO A 163 >ILE.A 60 -1.92 12.12 -8.15 -1.17 10.99 -7.85 -1.55 11.55 -8.00 3 0 11.76 -999 ? O1 EDO A 159 >LEU^A 61 -0.38 17.67 -9.30 1.00 19.33 -8.88 0.31 18.50 -9.09 3 0 15.04 -999 ? O1 EDO A 159 >HIS^A 62 -5.47 17.51 -6.29 -6.49 15.78 -6.92 -5.98 16.64 -6.61 3 0 12.35 -999 ? O2 EDO A 159 >CYH^A 63 -3.84 23.00 -5.58 -3.19 25.71 -5.69 -3.52 24.36 -5.63 2 0 17.69 -999 ? O2 EDO A 162 >ILE^A 64 -6.16 22.01 -1.66 -6.75 20.81 -1.42 -6.45 21.41 -1.54 3 0 12.57 -999 ? O2 EDO A 159 >ASP.A 65 -6.39 26.44 0.83 -8.34 25.81 1.27 -7.37 26.12 1.05 2 0 16.31 -999 ? O2 EDO A 159 >ASP.A 66 -2.90 29.23 -2.02 -4.63 30.38 -2.07 -3.77 29.80 -2.05 2 0 19.80 -999 ? O2 EDO A 162 >GLU^A 67 -0.83 25.67 0.86 -1.19 25.22 2.93 -1.01 25.44 1.90 2 0 14.56 -999 ? O1 EDO A 159 >TYR^A 68 0.78 23.48 -5.65 0.20 25.74 -7.17 0.49 24.61 -6.41 3 0 16.54 -999 ? O2 EDO A 161 >PHE^A 69 -1.45 18.98 -0.92 -1.58 20.89 1.07 -1.51 19.94 0.07 3 0 9.97 -999 ? O1 EDO A 159 >LEU^A 70 1.42 14.13 -4.95 2.86 14.74 -6.48 2.14 14.43 -5.71 3 0 10.55 -999 ? O1 EDO A 159 >ILE^A 71 -4.30 13.90 -3.66 -4.60 14.25 -2.26 -4.45 14.07 -2.96 3 0 7.74 -999 ? O2 EDO A 159 >THR.A 72 -3.45 9.25 -3.33 -1.45 8.50 -3.70 -2.45 8.87 -3.52 2 0 7.55 -999 ? C2 EDO A 159 >PRO.A 73 -6.44 6.06 -2.75 -5.14 7.39 -1.46 -5.79 6.72 -2.11 3 0 -7.02 -999 ? C2 EDO A 159s >VAL.A 74 -2.36 6.08 1.11 -1.54 4.05 1.16 -1.95 5.07 1.14 3 0 -5.05 -999 ? C2 EDO A 159s >GLU.A 75 1.91 7.28 0.25 3.71 6.79 -0.85 2.81 7.03 -0.30 2 0 7.49 -999 ? O1 EDO A 159s >LYS^A 76 -0.73 12.68 0.50 -5.34 10.31 1.50 -3.04 11.50 1.00 2 0 -2.76 -999 ? O2 EDO A 159s >VAL^A 77 2.35 14.85 0.20 3.60 13.26 -0.64 2.97 14.05 -0.22 3 0 6.40 -999 ? O1 EDO A 159 >ARG^A 78 3.40 20.49 2.82 1.01 22.14 3.95 2.21 21.32 3.39 2 0 11.61 -999 ? O1 EDO A 159 >VAL^A 79 4.82 19.96 -3.61 4.36 19.12 -5.60 4.59 19.54 -4.60 3 0 13.29 -999 ? O1 EDO A 159 >GLN^A 80 8.29 25.09 -2.82 6.99 26.03 -1.32 7.64 25.56 -2.07 2 0 17.93 -999 ? O1 EDO A 159 >VAL^A 81 5.81 25.40 -6.77 3.96 24.88 -7.86 4.89 25.14 -7.32 3 0 13.82 -999 ? O2 EDO A 161 >GLU.A 82 9.87 29.84 -8.60 11.75 29.89 -9.60 10.81 29.86 -9.10 2 0 10.18 -999 ? O2 EDO A 161 >ASP.A 83 6.13 30.51 -11.36 5.19 32.07 -12.37 5.66 31.29 -11.87 2 0 7.90 -999 ? O2 EDO A 161 >ALA.A 84 2.76 27.88 -11.85 2.16 28.28 -13.17 2.46 28.08 -12.51 2 0 8.97 -999 ? O2 EDO A 162 >PRO.A 85 0.34 24.31 -11.25 2.50 24.79 -11.64 1.42 24.55 -11.45 3 0 12.46 -999 ? O2 EDO A 161 >LEU^A 86 1.18 23.08 -15.82 0.57 21.02 -15.41 0.87 22.05 -15.62 3 0 10.77 -999 ? C1 EDO A 163 >LEU^A 87 5.54 25.56 -18.59 6.71 27.17 -19.47 6.12 26.37 -19.03 3 0 5.01 -999 ? C1 EDO A 161 >ILE^A 88 0.44 26.48 -21.48 -0.98 26.61 -21.54 -0.27 26.55 -21.51 3 0 8.55 -999 ? C1 EDO A 160 >VAL^A 89 3.71 25.27 -24.67 5.09 23.65 -24.07 4.40 24.46 -24.37 3 0 6.95 -999 ? C1 EDO A 160 >ASP^A 90 1.27 23.34 -28.00 0.91 23.40 -30.08 1.09 23.37 -29.04 2 0 -3.94 -999 ? O2 EDO A 160s >PHE^A 91 -2.83 27.70 -27.71 -2.24 29.94 -29.22 -2.54 28.82 -28.47 3 0 3.94 -999 ? C2 EDO A 160 >GLU^A 92 -6.10 23.33 -32.41 -5.72 21.53 -33.42 -5.91 22.43 -32.92 2 0 8.42 -999 ? O2 EDO A 160 >ARG^A 93 -10.69 28.80 -31.07 -11.04 31.37 -29.39 -10.87 30.08 -30.23 2 0 7.83 -999 ? NA NA A 158 >ALA.A 94 -11.22 22.00 -31.24 -12.14 21.25 -30.23 -11.68 21.63 -30.73 2 0 13.55 -999 ? O2 EDO A 163 >GLN.A 95 -15.82 23.39 -34.54 -17.53 24.64 -34.99 -16.68 24.01 -34.76 2 0 16.27 -999 ? NA NA A 158 >PRO.A 96 -13.90 26.95 -36.76 -13.74 26.95 -34.55 -13.82 26.95 -35.65 3 0 12.39 -999 ? NA NA A 158 >HIS.A 97 -15.78 31.45 -33.05 -15.49 32.94 -34.49 -15.63 32.19 -33.77 3 0 9.64 -999 ? NA NA A 158 >SER.A 98 -14.38 26.89 -29.15 -12.90 25.04 -29.74 -13.64 25.96 -29.44 2 0 13.43 -999 ? C2 EDO A 160 >LEU.A 99 -13.17 25.78 -24.62 -14.52 26.61 -23.11 -13.85 26.19 -23.86 3 0 15.77 -999 ? NA NA A 158 >LEU^A 100 -7.88 26.52 -25.57 -7.13 28.27 -26.49 -7.51 27.40 -26.03 3 0 9.16 -999 ? C2 EDO A 160 >ASN^A 101 -7.00 21.19 -26.68 -8.88 20.25 -27.01 -7.94 20.72 -26.85 2 0 9.58 -999 ? O2 EDO A 163 >VAL^A 102 -3.59 23.06 -24.21 -3.99 24.54 -22.62 -3.79 23.80 -23.41 3 0 8.62 -999 ? C1 EDO A 163 >SER^A 103 -0.52 20.98 -23.72 0.63 20.73 -25.82 0.06 20.85 -24.77 2 0 -4.23 -999 ? C1 EDO A 163s >THR^A 104 2.38 21.48 -21.38 1.40 20.74 -19.63 1.89 21.11 -20.50 2 0 6.75 -999 ? C1 EDO A 163 >SER.A 105 6.18 21.11 -21.25 6.99 22.03 -19.15 6.58 21.57 -20.20 2 0 8.19 -999 ? C1 EDO A 161 >ILE.A 106 5.71 17.68 -17.86 5.40 18.07 -16.56 5.56 17.88 -17.21 3 0 9.06 -999 ? O1 EDO A 163 >GLY.A 107 3.39 16.45 -21.94 3.10 16.75 -21.28 3.25 16.60 -21.61 1 0 -3.73 -999 ? O1 EDO A 163s >THR.A 108 0.06 16.88 -20.13 0.36 17.61 -18.07 0.21 17.25 -19.10 2 0 6.92 -999 ? C1 EDO A 163 >LEU^A 109 -3.48 16.62 -23.14 -4.55 16.90 -25.02 -4.01 16.76 -24.08 3 0 3.94 -999 ? O2 EDO A 163 >HIS^A 110 -4.32 20.47 -19.07 -2.79 19.74 -17.81 -3.55 20.11 -18.44 3 0 8.51 -999 ? C1 EDO A 163 >HIS^A 111 -9.50 18.02 -23.12 -8.37 16.46 -23.94 -8.93 17.24 -23.53 3 0 8.62 -999 ? O2 EDO A 163 >ASN^A 112 -13.14 22.32 -21.21 -14.04 20.67 -22.19 -13.59 21.49 -21.70 2 0 14.73 -999 ? O2 EDO A 163 >VAL^A 113 -9.70 25.83 -21.27 -7.56 25.65 -20.85 -8.63 25.74 -21.06 3 0 13.36 -999 ? C2 EDO A 160 >ASP~A 114 -12.51 29.33 -20.19 -13.93 30.81 -20.67 -13.22 30.07 -20.43 2 0 15.42 -999 ? NA NA A 158 >ILE~A 115 -9.50 32.77 -23.98 -8.97 33.06 -25.22 -9.23 32.91 -24.60 3 0 9.71 -999 ? NA NA A 158 >LYS~A 116 -12.02 34.53 -20.62 -15.85 33.24 -18.37 -13.94 33.88 -19.50 2 0 17.41 -999 ? NA NA A 158 >GLN~A 117 -12.75 31.61 -16.78 -13.32 29.61 -16.35 -13.04 30.61 -16.57 2 0 17.54 -999 ? O2 EDO A 162 >MET?A 118 -7.14 34.04 -17.91 -6.01 36.59 -21.15 -6.58 35.32 -19.53 2 0 9.48 -999 ? C2 EDO A 162 >LYS^A 119 -5.14 35.78 -15.21 -3.31 32.89 -10.27 -4.22 34.33 -12.74 2 0 11.66 -999 ? O2 EDO A 162 >LEU^A 120 -2.55 39.45 -16.73 -3.58 39.30 -18.69 -3.06 39.37 -17.71 3 0 8.44 -999 ? O2 EDO A 162 >THR~A 121 0.49 39.42 -13.60 1.55 37.66 -13.04 1.02 38.54 -13.32 2 0 7.82 -999 ? O2 EDO A 162 >ASP~A 122 3.64 43.10 -13.91 2.17 44.18 -12.90 2.90 43.64 -13.40 2 0 -11.82 -999 ? O1 EDO A 162s >ASP~A 123 6.11 38.48 -15.06 7.29 39.80 -13.91 6.70 39.14 -14.49 2 0 -8.02 -999 ? O1 EDO A 162s >SER~A 124 3.00 36.38 -17.33 4.86 35.21 -16.28 3.93 35.79 -16.81 2 0 -4.02 -999 ? O2 EDO A 162s >VAL^A 125 -0.36 35.06 -18.45 -1.45 35.75 -20.18 -0.90 35.40 -19.32 3 0 -4.36 -999 ? O2 EDO A 162s >TYR^A 126 -0.56 32.51 -14.70 1.91 33.36 -13.69 0.68 32.94 -14.19 3 0 6.32 -999 ? O2 EDO A 162 >LEU^A 127 -4.90 29.23 -19.22 -5.15 30.33 -21.12 -5.03 29.78 -20.17 3 0 9.38 -999 ? O2 EDO A 162 >PRO^A 128 -8.82 29.25 -15.88 -6.77 28.31 -15.89 -7.79 28.78 -15.88 3 0 12.91 -999 ? O2 EDO A 162 >LEU~A 129 -5.50 23.42 -15.88 -4.09 24.09 -17.42 -4.79 23.75 -16.65 3 0 12.24 -999 ? C1 EDO A 163 >GLU~A 130 -7.35 18.96 -14.22 -6.42 19.01 -16.12 -6.88 18.98 -15.17 2 0 11.31 -999 ? C2 EDO A 163 >ARG~A 131 -6.19 16.74 -10.46 -4.80 16.75 -13.27 -5.50 16.75 -11.86 2 0 12.47 -999 ? C2 EDO A 163 >GLY~A 132 -6.96 24.07 -8.94 -6.58 23.67 -9.54 -6.77 23.87 -9.24 1 0 18.03 -999 ? O2 EDO A 162 >LEU~A 133 -3.42 22.85 -11.94 -2.59 21.12 -10.84 -3.00 21.98 -11.39 3 0 15.02 -999 ? C1 EDO A 163 >TRP^A 134 -4.49 28.61 -10.89 -6.53 31.22 -12.96 -5.51 29.91 -11.92 3 0 12.55 -999 ? O2 EDO A 162 >GLY^A 135 -0.79 26.83 -16.51 -1.09 27.58 -16.27 -0.94 27.21 -16.39 1 0 9.03 -999 ? O2 EDO A 162 >LYS^A 136 1.64 29.66 -17.31 7.12 31.17 -15.42 4.38 30.41 -16.37 2 0 4.23 -999 ? O2 EDO A 161 >LEU^A 137 1.14 31.64 -21.77 -0.78 31.41 -22.70 0.18 31.53 -22.23 3 0 -4.73 -999 ? O2 EDO A 162s >GLY~A 138 5.34 29.81 -22.27 4.79 30.34 -22.58 5.06 30.08 -22.43 1 0 -3.61 -999 ? C2 EDO A 161s >ARG~A 139 7.88 34.40 -21.89 8.75 37.33 -21.46 8.31 35.86 -21.67 2 0 -3.63 -999 ? O1 EDO A 162s >ALA~A 140 7.24 30.74 -27.39 8.01 29.44 -27.71 7.62 30.09 -27.55 2 0 6.07 -999 ? O1 EDO A 161 >CYH~A 141 3.42 30.61 -27.67 3.13 28.26 -26.13 3.27 29.44 -26.90 2 0 -4.10 -999 ? O1 EDO A 160s >TYR~A 142 2.93 36.19 -24.94 1.69 38.47 -23.92 2.31 37.33 -24.43 3 0 4.26 -999 ? C2 EDO A 162s >TYR~A 143 4.43 37.29 -29.96 6.41 39.04 -28.97 5.42 38.17 -29.46 3 0 -3.94 -999 ? O1 EDO A 165s >ASN~A 144 0.74 31.64 -31.25 2.27 31.36 -32.72 1.50 31.50 -31.99 2 0 -3.85 -999 ? O1 EDO A 160s >PHE~A 145 -2.74 33.25 -25.54 -4.85 33.57 -23.76 -3.79 33.41 -24.65 3 0 8.08 -999 ? C2 EDO A 162 >VAL~A 146 -2.60 36.99 -28.46 -1.58 38.83 -27.79 -2.09 37.91 -28.13 3 0 5.33 -999 ? O1 EDO A 164 >ASN~A 147 -2.38 35.71 -33.15 -0.60 36.82 -33.65 -1.49 36.26 -33.40 2 0 3.98 -999 ? O1 EDO A 164s >GLU~A 148 -6.53 31.30 -30.27 -6.73 30.41 -32.19 -6.63 30.85 -31.23 2 0 6.95 -999 ? NA NA A 158 >PHE~A 149 -9.07 38.04 -28.24 -11.22 39.46 -27.22 -10.14 38.75 -27.73 3 0 -6.17 -999 ? NA NA A 158s >ASN~A 150 -12.61 34.90 -31.27 -11.66 33.55 -32.64 -12.13 34.23 -31.96 2 0 5.62 -999 ? NA NA A 158 >LEU~A 151 -15.09 39.74 -30.59 -15.23 41.82 -29.79 -15.16 40.78 -30.19 3 0 8.95 -999 ? NA NA A 158 >SER~A 152 -16.65 35.73 -29.03 -15.84 33.90 -30.36 -16.24 34.81 -29.70 2 0 9.44 -999 ? NA NA A 158 >ASP~A 153 -12.75 34.73 -26.28 -11.93 33.33 -27.60 -12.34 34.03 -26.94 2 0 8.10 -999 ? NA NA A 158 >LEU~A 154 -15.79 38.82 -24.36 -14.04 40.06 -24.43 -14.92 39.44 -24.39 3 0 11.66 -999 ? NA NA A 158 >ASN~A 155 -19.90 35.20 -25.60 -20.04 36.55 -27.27 -19.97 35.88 -26.43 2 0 13.88 -999 ? NA NA A 158