REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUL-06 2HQV COMPND AGR_C_4470P; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58-ATCC 33970; SOURCE 5 GENE: AGR_C_4470; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) + MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR S.M.VOROBIEV,H.NEELY,J.SEETHARAMAN,L.ZHAO,K.CUNNINGHAM, AUTHOR 2 L.C.MA,Y.FANG,R.XIAO,T.ACTON,T.G.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 14 8 HET MSE A 79 8 HET MSE A 87 8 HET MSE A 150 8 HET MSE A 157 8 >ALA.A 11 30.93 21.24 56.83 29.66 20.58 56.30 30.30 20.91 56.56 2 0 1000.00 -999 ? >TYR.A 12 30.94 17.07 61.43 30.56 16.13 64.04 30.75 16.60 62.74 3 0 1000.00 -999 ? >PRO.A 13 32.61 20.87 63.73 33.60 19.91 61.99 33.11 20.39 62.86 3 0 1000.00 -999 ? >MET?A 14 37.63 18.41 61.62 38.22 17.26 58.40 37.92 17.83 60.01 2 0 1000.00 -999 ? >SER~A 15 39.66 16.55 64.24 39.66 14.16 63.75 39.66 15.35 64.00 2 0 1000.00 -999 ? >ILE~A 16 44.22 16.87 65.94 45.11 17.52 66.86 44.66 17.19 66.40 3 0 1000.00 -999 ? >ALA~A 17 43.84 13.18 63.50 43.33 11.97 64.28 43.58 12.57 63.89 2 0 1000.00 -999 ? >ALA~A 18 41.47 13.61 60.54 40.01 14.05 60.64 40.74 13.83 60.59 2 0 1000.00 -999 ? >GLN~A 19 44.14 19.09 59.19 42.93 19.61 57.51 43.54 19.35 58.35 2 0 1000.00 -999 ? >LYS~A 20 46.64 14.86 59.86 50.80 12.10 60.45 48.72 13.48 60.15 2 0 1000.00 -999 ? >ASN~A 21 43.96 11.16 58.23 44.21 9.90 59.94 44.08 10.53 59.09 2 0 1000.00 -999 ? >ASP~A 22 43.50 15.59 55.26 43.81 17.00 53.71 43.66 16.29 54.49 2 0 1000.00 -999 ? >ASP~A 23 48.46 16.71 56.39 47.43 18.45 56.99 47.94 17.58 56.69 2 0 1000.00 -999 ? >ASP~A 24 49.41 11.55 56.09 50.57 12.00 57.80 49.99 11.77 56.94 2 0 1000.00 -999 ? >GLN~A 26 46.48 16.52 50.63 46.23 18.64 50.52 46.35 17.58 50.57 2 0 1000.00 -999 ? >ALA~A 27 51.78 13.89 50.97 52.30 13.64 52.38 52.04 13.76 51.67 2 0 1000.00 -999 ? >ARG~A 28 49.85 7.74 51.85 46.84 7.51 52.38 48.34 7.62 52.12 2 0 1000.00 -999 ? >ALA~A 29 49.71 11.88 46.49 48.58 12.89 46.56 49.14 12.39 46.52 2 0 1000.00 -999 ? >LEU~A 30 52.98 15.44 46.62 51.53 16.93 46.00 52.26 16.18 46.31 3 0 1000.00 -999 ? >ALA~A 31 55.17 11.63 46.53 55.35 10.97 47.90 55.26 11.30 47.21 2 0 1000.00 -999 ? >ALA~A 32 53.48 9.01 44.36 52.07 8.48 44.56 52.77 8.74 44.46 2 0 1000.00 -999 ? >LEU~A 33 53.02 12.94 41.54 52.16 13.90 39.80 52.59 13.42 40.67 3 0 1000.00 -999 ? >ALA.A 34 57.23 10.77 41.50 57.90 9.81 42.46 57.56 10.29 41.98 2 0 1000.00 -999 ? >PRO.A 37 56.45 9.39 33.01 54.77 10.50 33.95 55.61 9.95 33.48 3 0 1000.00 -999 ? >ALA.A 43 46.72 8.69 37.06 45.74 9.72 36.49 46.23 9.21 36.78 2 0 1000.00 -999 ? >ILE.A 44 43.74 4.85 37.54 43.05 5.16 37.20 43.40 5.00 37.37 3 0 1000.00 -999 ? >ALA.A 45 47.71 3.80 39.21 48.89 3.58 38.26 48.30 3.69 38.74 2 0 1000.00 -999 ? >ALA.A 46 48.73 6.72 41.39 49.04 8.15 40.89 48.89 7.44 41.14 2 0 1000.00 -999 ? >ALA.A 48 48.46 5.01 46.67 49.84 5.61 46.72 49.15 5.31 46.69 2 0 1000.00 -999 ? >ALA~A 51 40.71 9.63 44.27 39.36 10.32 44.45 40.03 9.98 44.36 2 0 1000.00 -999 ? >PRO~A 52 40.80 8.20 40.18 41.53 10.00 41.26 41.16 9.10 40.72 3 0 1000.00 -999 ? >ALA~A 53 40.48 13.82 40.75 39.05 14.22 41.11 39.76 14.02 40.93 2 0 1000.00 -999 ? >GLU~A 54 41.51 13.82 45.63 41.42 12.78 47.46 41.46 13.31 46.54 2 0 1000.00 -999 ? >ILE~A 55 46.19 11.96 41.04 46.90 12.06 39.72 46.55 12.01 40.38 3 0 1000.00 -999 ? >LEU~A 56 43.15 15.37 38.09 42.59 13.98 36.52 42.87 14.68 37.30 3 0 1000.00 -999 ? >ALA~A 57 44.39 18.60 40.88 43.44 18.78 42.06 43.91 18.69 41.47 2 0 1000.00 -999 ? >ILE.A 58 48.41 16.79 42.63 48.33 17.04 43.40 48.37 16.92 43.02 3 0 1000.00 -999 ? >LEU.A 59 48.60 17.38 36.87 48.14 15.28 36.61 48.37 16.33 36.74 3 0 1000.00 -999 ? >PRO.A 60 52.90 19.34 35.88 51.06 20.23 36.78 51.98 19.78 36.33 3 0 1000.00 -999 ? >GLN.A 61 48.31 26.42 36.39 48.83 28.30 37.25 48.57 27.36 36.82 2 0 1000.00 -999 ? >GLY.A 62 47.33 23.72 32.76 47.40 23.06 33.20 47.37 23.39 32.98 1 0 1000.00 -999 ? >ALA.A 63 47.62 19.93 32.53 48.69 19.11 33.25 48.15 19.52 32.89 2 0 1000.00 -999 ? >ALA^A 64 44.17 19.46 34.06 44.20 18.65 35.36 44.18 19.06 34.71 2 0 1000.00 -999 ? >VAL^A 65 41.61 22.13 33.16 42.07 23.83 31.87 41.84 22.98 32.51 3 0 1000.00 -999 ? >SER^A 66 38.04 21.53 34.33 38.58 20.02 36.17 38.31 20.77 35.25 2 0 1000.00 -999 ? >ALA^A 67 34.76 22.86 32.97 34.39 22.60 31.51 34.58 22.73 32.24 2 0 1000.00 -999 ? >PRO^A 68 31.05 24.97 33.99 32.07 23.07 34.57 31.56 24.02 34.28 3 0 1000.00 -999 ? >ALA.A 69 29.17 19.88 34.66 28.56 19.13 35.83 28.87 19.51 35.24 2 0 1000.00 -999 ? >ASP.A 70 26.01 23.44 33.57 27.48 24.95 33.63 26.75 24.19 33.60 2 0 1000.00 -999 ? >ARG~A 71 29.52 25.17 29.39 26.60 25.71 28.60 28.06 25.44 29.00 2 0 1000.00 -999 ? >PHE~A 72 27.17 16.19 29.80 27.08 13.46 29.15 27.12 14.82 29.47 3 0 1000.00 -999 ? >ASP~A 73 24.49 19.57 26.25 23.04 18.14 26.82 23.76 18.85 26.54 2 0 1000.00 -999 ? >ALA~A 74 28.03 21.77 24.70 28.35 23.12 25.35 28.19 22.45 25.03 2 0 1000.00 -999 ? >ILE~A 75 31.89 19.40 26.42 32.99 19.50 27.36 32.44 19.45 26.89 3 0 1000.00 -999 ? >TRP~A 76 27.33 14.34 22.51 29.22 11.20 23.96 28.27 12.77 23.24 3 0 1000.00 -999 ? >ASN~A 77 27.28 19.63 20.74 26.97 20.53 18.83 27.13 20.08 19.79 2 0 1000.00 -999 ? >GLU~A 78 33.56 21.66 20.86 32.90 23.37 19.82 33.23 22.52 20.34 2 0 1000.00 -999 ? >MET?A 79 33.49 16.71 20.25 34.85 15.29 24.07 34.17 16.00 22.16 2 0 1000.00 -999 ? >ARG~A 80 27.30 14.64 18.82 26.20 15.16 16.02 26.75 14.90 17.42 2 0 1000.00 -999 ? >GLY.A 81 32.68 17.43 15.22 33.15 17.03 15.77 32.92 17.23 15.49 1 0 1000.00 -999 ? >TRP.A 82 36.12 18.29 18.21 37.78 17.61 21.72 36.95 17.95 19.97 3 0 1000.00 -999 ? >GLY.A 83 35.90 13.11 13.81 35.80 13.06 14.65 35.85 13.08 14.23 1 0 1000.00 -999 ? >GLU.A 84 37.55 7.17 14.72 38.48 5.70 13.52 38.02 6.43 14.12 2 0 1000.00 -999 ? >ILE^A 85 37.42 10.76 19.59 36.59 10.65 19.80 37.01 10.70 19.69 3 0 1000.00 -999 ? >LEU^A 86 40.35 6.64 21.33 40.98 4.61 21.74 40.66 5.62 21.54 3 0 1000.00 -999 ? >MET?A 87 36.29 6.25 23.75 33.53 6.41 26.05 34.91 6.33 24.90 2 0 1000.00 -999 ? >ILE^A 88 39.10 4.81 27.19 40.52 4.36 27.15 39.81 4.58 27.17 3 0 1000.00 -999 ? >VAL^A 89 35.77 3.04 29.83 33.62 2.70 30.00 34.69 2.87 29.92 3 0 1000.00 -999 ? >GLN^A 90 40.06 1.37 33.79 42.12 1.91 33.68 41.09 1.64 33.74 2 0 1000.00 -999 ? >THR.A 91 36.97 -0.76 35.63 35.29 -1.93 34.88 36.13 -1.35 35.25 2 0 1000.00 -999 ? >GLY.A 92 39.16 -2.99 37.74 38.69 -3.23 37.11 38.93 -3.11 37.43 1 0 1000.00 -999 ? >ASP.A 93 36.98 -6.66 35.61 36.76 -7.39 37.57 36.87 -7.03 36.59 2 0 1000.00 -999 ? >ILE.A 94 37.10 -4.83 31.22 35.99 -4.69 30.27 36.54 -4.76 30.75 3 0 1000.00 -999 ? >VAL^A 95 39.57 -1.39 29.83 41.45 -0.31 30.10 40.51 -0.85 29.96 3 0 1000.00 -999 ? >LEU^A 96 35.85 -1.24 26.84 34.56 -2.18 25.39 35.21 -1.71 26.11 3 0 1000.00 -999 ? >GLU^A 97 41.03 1.14 25.10 43.11 0.85 24.91 42.07 1.00 25.00 2 0 1000.00 -999 ? >VAL^A 98 36.43 1.96 21.09 34.39 1.20 21.30 35.41 1.58 21.19 3 0 1000.00 -999 ? >PRO^A 99 38.13 2.17 17.03 37.29 3.56 18.56 37.71 2.86 17.79 3 0 1000.00 -999 ? >GLY^A 100 34.57 6.01 16.43 34.97 6.57 16.88 34.77 6.29 16.66 1 0 1000.00 -999 ? >HIS.A 101 32.87 9.94 13.48 34.19 10.14 11.86 33.53 10.04 12.67 3 0 1000.00 -999 ? >LEU.A 102 30.94 11.48 19.87 32.17 11.06 21.58 31.55 11.27 20.72 3 0 1000.00 -999 ? >PRO.A 103 26.80 8.11 19.35 27.53 9.91 18.28 27.17 9.01 18.81 3 0 1000.00 -999 ? >GLU.A 104 23.44 13.30 16.60 21.89 13.91 15.29 22.67 13.61 15.95 2 0 1000.00 -999 ? >GLY^A 105 22.31 11.66 22.22 21.97 12.31 21.83 22.14 11.99 22.02 1 0 1000.00 -999 ? >THR^A 106 18.82 12.07 23.64 17.70 10.59 22.54 18.26 11.33 23.09 2 0 1000.00 -999 ? >GLU^A 107 18.58 14.03 29.41 19.65 15.69 30.19 19.11 14.86 29.80 2 0 1000.00 -999 ? >SER^A 108 15.60 11.19 29.84 13.54 9.93 29.95 14.57 10.56 29.89 2 0 1000.00 -999 ? >HIS.A 109 13.44 9.68 33.77 11.42 9.96 33.29 12.43 9.82 33.53 3 0 1000.00 -999 ? >GLY.A 110 19.37 11.68 34.10 19.14 11.31 33.46 19.25 11.49 33.78 1 0 1000.00 -999 ? >TRP^A 111 19.64 7.13 33.63 22.92 4.94 33.58 21.28 6.04 33.61 3 0 1000.00 -999 ? >PHE^A 112 23.65 12.13 26.81 24.19 13.66 24.53 23.92 12.89 25.67 3 0 1000.00 -999 ? >ASN^A 113 19.80 7.26 25.43 18.95 7.07 27.38 19.37 7.17 26.40 2 0 1000.00 -999 ? >ILE^A 114 25.19 8.03 22.90 26.31 8.27 23.77 25.75 8.15 23.33 3 0 1000.00 -999 ? >HIS.A 115 21.57 4.25 20.81 21.56 3.01 22.51 21.57 3.63 21.66 3 0 1000.00 -999 ? >GLY.A 116 24.01 6.58 15.84 24.37 5.85 16.06 24.19 6.21 15.95 1 0 1000.00 -999 ? >ASP.A 117 26.17 6.12 11.55 27.48 5.15 10.21 26.83 5.63 10.88 2 0 1000.00 -999 ? >SER.A 118 29.07 4.52 15.22 30.52 5.58 16.87 29.79 5.05 16.05 2 0 1000.00 -999 ? >PRO.A 119 32.40 1.99 16.48 30.19 2.07 16.77 31.30 2.03 16.62 3 0 1000.00 -999 ? >ILE.A 120 30.97 5.13 20.39 32.00 5.97 20.98 31.48 5.55 20.69 3 0 1000.00 -999 ? >GLY.A 121 26.75 3.43 21.77 27.29 3.13 22.31 27.02 3.28 22.04 1 0 1000.00 -999 ? >GLY^A 122 24.85 2.92 24.99 24.70 3.65 24.70 24.77 3.28 24.84 1 0 1000.00 -999 ? >HIS^A 123 21.90 3.54 27.80 20.65 2.54 26.45 21.27 3.04 27.12 3 0 1000.00 -999 ? >ILE^A 124 26.49 8.82 29.20 27.77 9.39 28.75 27.13 9.11 28.98 3 0 1000.00 -999 ? >LYS~A 125 24.43 8.70 33.42 22.59 6.80 39.20 23.51 7.75 36.31 2 0 1000.00 -999 ? >LYS~A 126 24.77 12.41 32.69 22.22 17.44 29.75 23.50 14.92 31.22 2 0 1000.00 -999 ? >ASP~A 127 21.79 13.27 36.45 21.44 11.33 37.24 21.61 12.30 36.85 2 0 1000.00 -999 ? >ASN.A 128 26.60 10.40 37.61 25.37 9.11 38.80 25.98 9.76 38.20 2 0 1000.00 -999 ? >CYH^A 129 28.68 14.24 36.11 30.06 15.63 34.11 29.37 14.94 35.11 2 0 1000.00 -999 ? >ALA^A 130 30.40 16.57 38.57 31.03 15.97 39.83 30.71 16.27 39.20 2 0 1000.00 -999 ? >ALA^A 131 33.03 17.99 36.25 34.23 18.27 37.17 33.63 18.13 36.71 2 0 1000.00 -999 ? >ILE^A 132 33.79 18.09 31.63 32.90 17.89 30.58 33.35 17.99 31.10 3 0 1000.00 -999 ? >THR^A 133 38.43 17.79 32.92 39.45 17.64 34.80 38.94 17.72 33.86 2 0 1000.00 -999 ? >PHE^A 134 39.29 19.91 28.52 36.73 20.47 27.53 38.01 20.19 28.02 3 0 1000.00 -999 ? >VAL^A 135 43.91 16.40 30.60 43.97 14.81 32.09 43.94 15.60 31.35 3 0 1000.00 -999 ? >ASP^A 136 46.92 18.77 28.00 48.40 19.17 26.54 47.66 18.97 27.27 2 0 1000.00 -999 ? >ARG^A 137 48.62 13.66 32.92 50.03 10.98 33.40 49.32 12.32 33.16 2 0 1000.00 -999 ? >GLY^A 138 53.08 13.47 29.15 52.40 13.30 29.65 52.74 13.38 29.40 1 0 1000.00 -999 ? >HIS.A 140 53.91 5.49 29.69 52.99 4.14 31.01 53.45 4.81 30.35 3 0 1000.00 -999 ? >GLY.A 141 57.37 9.96 27.17 56.62 10.09 27.22 57.00 10.02 27.20 1 0 1000.00 -999 ? >ARG^A 143 50.74 17.39 23.65 48.99 19.75 22.84 49.86 18.57 23.24 2 0 1000.00 -999 ? >SER^A 144 48.44 12.66 25.65 47.08 11.02 26.86 47.76 11.84 26.26 2 0 1000.00 -999 ? >CYH^A 145 45.22 14.68 25.30 46.68 16.74 24.06 45.95 15.71 24.68 2 0 1000.00 -999 ? >SER^A 146 41.86 13.51 26.62 42.79 12.33 28.53 42.32 12.92 27.58 2 0 1000.00 -999 ? >VAL^A 147 38.56 14.72 28.04 37.32 16.11 26.91 37.94 15.42 27.48 3 0 1000.00 -999 ? >TRP^A 148 40.56 12.51 31.03 42.19 10.56 34.03 41.38 11.54 32.53 3 0 1000.00 -999 ? >PHE^A 149 32.51 13.47 30.30 32.16 15.02 27.99 32.34 14.24 29.15 3 0 1000.00 -999 ? >MET?A 150 34.16 13.05 36.22 37.51 13.16 36.00 35.83 13.11 36.11 2 0 1000.00 -999 ? >ASN^A 151 31.29 10.25 38.90 32.91 9.18 39.78 32.10 9.72 39.34 2 0 1000.00 -999 ? >ALA.A 152 30.81 13.06 42.18 29.44 13.02 42.86 30.13 13.04 42.52 2 0 1000.00 -999 ? >ALA.A 153 33.29 10.57 43.64 33.03 9.08 43.69 33.16 9.83 43.66 2 0 1000.00 -999 ? >GLY.A 154 36.26 12.07 41.78 35.91 11.41 41.55 36.08 11.74 41.66 1 0 1000.00 -999 ? >GLY.A 155 36.64 9.21 39.34 36.13 9.87 39.10 36.39 9.54 39.22 1 0 1000.00 -999 ? >ALA^A 156 36.37 9.24 35.55 37.54 9.08 34.60 36.96 9.16 35.07 2 0 1000.00 -999 ? >MET?A 157 33.02 8.03 34.19 29.99 11.02 34.69 31.50 9.52 34.44 2 0 1000.00 -999 ? >PHE^A 158 32.81 8.61 29.36 31.38 10.91 28.62 32.10 9.76 28.99 3 0 1000.00 -999 ? >LYS^A 159 37.41 9.37 28.78 41.79 7.41 33.01 39.60 8.39 30.90 2 0 1000.00 -999 ? >ILE^A 160 36.60 11.72 24.66 35.65 10.93 23.88 36.12 11.33 24.27 3 0 1000.00 -999 ? >PHE^A 161 42.46 9.12 25.30 43.33 8.76 27.94 42.89 8.94 26.62 3 0 1000.00 -999 ? >VAL.A 162 42.47 12.51 20.79 43.19 14.55 20.46 42.83 13.53 20.63 3 0 1000.00 -999 ? >ARG.A 163 41.58 7.72 18.35 41.06 5.70 16.13 41.32 6.71 17.24 2 0 1000.00 -999 ? >ARG.A 164 49.09 8.21 19.74 50.48 10.18 21.63 49.78 9.20 20.69 2 0 1000.00 -999 ? >ASP.A 165 48.32 10.29 12.09 50.21 11.16 12.49 49.26 10.72 12.29 2 0 1000.00 -999 ? >ASN.A 167 53.76 9.81 11.65 53.97 9.71 9.52 53.87 9.76 10.58 2 0 1000.00 -999 ? >GLU.A 169 52.13 12.73 14.02 52.82 14.45 12.99 52.47 13.59 13.50 2 0 1000.00 -999 ? >LEU.A 170 48.36 14.37 18.83 48.29 13.99 20.95 48.33 14.18 19.89 3 0 1000.00 -999 ? >LEU~A 171 44.69 13.36 14.56 44.33 11.55 13.43 44.51 12.46 13.99 3 0 1000.00 -999 ? >ALA~A 172 46.65 17.66 13.82 47.33 18.09 12.52 46.99 17.87 13.17 2 0 1000.00 -999 ? >GLY~A 173 43.10 18.82 13.09 43.36 18.38 13.71 43.23 18.60 13.40 1 0 1000.00 -999 ? >GLN~A 174 40.58 15.01 17.25 40.33 12.91 17.10 40.46 13.96 17.18 2 0 1000.00 -999 ? >LEU~A 175 45.88 17.97 18.17 47.38 18.18 19.72 46.63 18.07 18.95 3 0 1000.00 -999 ? >ALA~A 176 43.79 21.82 17.44 43.83 22.37 16.01 43.81 22.09 16.72 2 0 1000.00 -999 ? >LYS~A 177 40.08 21.55 18.35 36.75 19.39 13.39 38.42 20.47 15.87 2 0 1000.00 -999 ? >PHE~A 178 42.25 18.48 23.31 43.01 18.16 26.00 42.63 18.32 24.65 3 0 1000.00 -999 ? >GLU~A 179 45.63 21.76 21.59 47.42 22.24 20.59 46.52 22.00 21.09 2 0 1000.00 -999 ? >GLU~A 180 39.49 26.49 19.64 38.33 26.09 17.91 38.91 26.29 18.78 2 0 1000.00 -999 ? >LEU~A 181 37.43 22.70 23.38 35.42 22.31 24.03 36.42 22.51 23.71 3 0 1000.00 -999 ? >ARG~A 182 43.47 23.25 28.17 45.07 23.28 25.55 44.27 23.27 26.86 2 0 1000.00 -999 ? >ASP~A 183 42.74 27.47 25.14 44.56 26.57 24.58 43.65 27.02 24.86 2 0 1000.00 -999 ? >GLY~A 184 38.66 28.41 26.65 39.00 27.93 27.18 38.83 28.17 26.92 1 0 1000.00 -999 ? >PHE~A 185 36.44 25.13 29.66 33.96 24.58 28.47 35.20 24.86 29.06 3 0 1000.00 -999 ?