REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 08-DEC-08 3FH1 COMPND UNCHARACTERIZED NTF2-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; SOURCE 3 ORGANISM_COMMON: MESORHIZOBIUM LOTI; SOURCE 4 ORGANISM_TAXID: 381; SOURCE 5 GENE: MLL8193, NP_108339.1; 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 22 8 HET MSE A 100 8 HET MSE A 112 8 HET MSE A 123 16 HET UNL A 129 6 HET CL A 130 1 HET EDO A 131 4 SITE 1 AC1 5 ASN A 26 ASN A 49 TRP A 69 ASN A 110 SITE 1 AC2 4 GLU A 83 ARG A 97 HOH A 179 HOH A 201 SITE 1 AC3 7 PRO A 38 GLU A 39 ILE A 41 ARG A 62 >ILE.A 7 14.24 -2.69 66.09 13.88 -2.01 64.67 14.06 -2.35 65.38 3 0 11.29 -999 ? O1 UNL A 129 >THR^A 8 11.99 -1.78 70.26 11.95 -0.83 72.21 11.97 -1.31 71.24 2 0 15.56 -999 ? O1 UNL A 129 >LEU^A 9 8.39 -3.74 67.67 9.45 -3.99 65.83 8.92 -3.86 66.75 3 0 16.36 -999 ? O1 UNL A 129 >HIS^A 10 3.62 0.56 70.21 1.71 0.71 71.05 2.66 0.64 70.63 3 0 21.39 -999 ? O1 UNL A 129 >PRO.A 11 2.85 -4.62 70.58 3.24 -3.30 68.78 3.05 -3.96 69.68 3 0 22.15 -999 ? O1 UNL A 129 >ARG~A 14 1.76 -0.88 56.57 -0.73 0.85 57.14 0.51 -0.02 56.86 2 0 17.95 -999 ? O1 EDO A 131 >SER~A 15 5.42 -2.09 62.87 4.26 -1.35 64.89 4.84 -1.72 63.88 2 0 18.72 -999 ? O1 UNL A 129 >GLU~A 16 6.67 -7.28 62.99 6.41 -9.43 62.82 6.54 -8.36 62.90 2 0 21.06 -999 ? O1 UNL A 129 >GLN~A 17 6.99 -2.39 56.10 5.44 -2.25 54.67 6.21 -2.32 55.38 2 0 12.91 -999 ? O1 EDO A 131 >THR~A 18 8.95 -0.34 59.58 7.89 1.43 60.25 8.42 0.55 59.92 2 0 14.14 -999 ? O1 UNL A 129 >ALA~A 19 11.48 -2.22 61.72 11.23 -3.33 62.79 11.35 -2.78 62.26 2 0 13.41 -999 ? O1 UNL A 129 >GLU~A 20 12.05 -6.26 58.01 14.02 -6.94 57.87 13.04 -6.60 57.94 2 0 14.73 -999 ? O1 UNL A 129 >ILE~A 21 11.97 0.31 56.46 11.08 1.02 55.56 11.53 0.66 56.01 3 0 10.89 -999 ? O1 EDO A 131 >MET?A 22 14.98 0.88 59.75 13.52 3.82 60.01 14.25 2.35 59.88 2 0 8.19 -999 ? O1 UNL A 129 >ARG~A 23 17.13 -5.77 61.40 14.16 -5.95 62.34 15.65 -5.86 61.87 2 0 13.39 -999 ? O1 UNL A 129 >ARG~A 24 18.49 -3.79 53.93 19.40 -3.98 51.02 18.95 -3.88 52.48 2 0 10.45 -999 ? O2 EDO A 131 >PHE~A 25 17.77 4.42 57.32 18.43 7.12 57.57 18.10 5.77 57.44 3 0 4.97 -999 ? O3 UNL A 129 >ASN~A 26 20.27 1.29 61.19 19.06 2.63 62.31 19.66 1.96 61.75 2 0 -3.64 -999 ? O1 UNL A 129s >ASP~A 27 22.55 -2.06 57.44 22.10 -3.63 58.78 22.32 -2.84 58.11 2 0 9.31 -999 ? O1 UNL A 129 >VAL~A 28 23.80 1.77 55.41 22.81 3.03 53.89 23.30 2.40 54.65 3 0 7.65 -999 ? O1 UNL A 129 >PHE~A 29 23.95 5.69 58.20 22.32 7.20 56.56 23.13 6.45 57.38 3 0 3.90 -999 ? O3 UNL A 129 >GLN~A 30 25.27 0.50 61.89 26.32 1.60 63.41 25.80 1.05 62.65 2 0 6.38 -999 ? O1 UNL A 129 >LEU~A 31 27.65 -1.69 56.19 27.08 -3.64 56.96 27.36 -2.67 56.58 3 0 11.05 -999 ? O1 UNL A 129 >HIS.A 32 31.09 3.34 56.95 31.40 4.07 58.89 31.24 3.71 57.92 3 0 10.54 -999 ? O1 UNL A 129 >ASP~A 33 27.53 -0.26 52.31 27.16 -1.14 50.43 27.34 -0.70 51.37 2 0 14.00 -999 ? O1 UNL A 129 >PRO~A 34 26.70 4.56 49.47 25.58 3.06 50.69 26.14 3.81 50.08 3 0 12.19 -999 ? O3 UNL A 129 >ALA~A 35 23.85 0.73 47.92 24.50 -0.67 47.69 24.17 0.03 47.80 2 0 11.80 -999 ? O2 EDO A 131 >ALA~A 36 20.43 0.18 49.64 20.20 -0.54 51.03 20.32 -0.18 50.34 2 0 9.90 -999 ? O2 EDO A 131 >LEU~A 37 20.29 5.09 50.06 21.12 5.94 51.83 20.71 5.51 50.95 3 0 9.77 -999 ? O4 UNL A 129 >PRO~A 38 19.58 4.27 45.50 18.08 4.13 47.13 18.83 4.20 46.31 3 0 -6.14 -999 ? C1 EDO A 131s >GLU~A 39 16.28 -0.65 48.25 17.44 -2.41 47.87 16.86 -1.53 48.06 2 0 -6.51 -999 ? O2 EDO A 131s >LEU~A 40 15.32 2.47 51.83 16.07 0.76 52.84 15.69 1.61 52.34 3 0 7.64 -999 ? O1 EDO A 131 >ILE^A 41 14.73 7.01 49.49 15.76 7.93 49.94 15.25 7.47 49.72 3 0 -6.56 -999 ? O1 EDO A 131s >ALA^A 42 10.24 7.47 48.29 9.05 7.99 49.12 9.64 7.73 48.71 2 0 7.08 -999 ? O1 EDO A 131 >GLU^A 43 9.68 10.43 42.84 8.23 10.35 41.26 8.95 10.39 42.05 2 0 9.04 -999 ? C1 EDO A 131 >GLU^A 44 6.93 12.76 45.77 4.84 13.17 45.63 5.89 12.96 45.70 2 0 12.75 -999 ? O1 EDO A 131 >CYH^A 45 11.10 11.86 50.35 12.78 10.60 52.19 11.94 11.23 51.27 2 0 9.30 -999 ? O5 UNL A 129 >VAL^A 46 12.00 14.94 52.44 10.79 16.77 52.52 11.40 15.86 52.48 3 0 10.61 -999 ? O6 UNL A 129 >ILE^A 47 16.30 14.84 54.65 17.49 14.05 54.77 16.90 14.44 54.71 3 0 5.24 -999 ? O6 UNL A 129 >GLU^A 48 12.32 18.70 57.47 10.63 19.41 58.49 11.47 19.06 57.98 2 0 10.20 -999 ? O6 UNL A 129 >ASN.A 49 19.39 19.23 57.54 21.48 18.62 57.50 20.43 18.93 57.52 2 0 -5.40 -999 ? O6 UNL A 129s >THR.A 50 19.92 18.71 61.88 21.42 17.15 62.13 20.67 17.93 62.00 2 0 4.67 -999 ? O6 UNL A 129 >VAL.A 51 21.46 22.00 60.87 23.54 21.26 61.09 22.50 21.63 60.98 3 0 8.39 -999 ? O6 UNL A 129 >PRO.A 52 21.29 26.14 58.67 21.23 24.47 60.14 21.26 25.31 59.41 3 0 11.42 -999 ? O6 UNL A 129 >ALA.A 53 19.06 26.40 63.31 19.46 26.71 64.74 19.26 26.56 64.02 2 0 13.75 -999 ? O6 UNL A 129 >PRO.A 54 15.74 29.56 62.03 16.98 27.94 62.96 16.36 28.75 62.49 3 0 15.29 -999 ? O6 UNL A 129 >ASP.A 55 14.19 25.99 59.62 12.98 27.63 60.06 13.58 26.81 59.84 2 0 14.97 -999 ? O6 UNL A 129 >GLY.A 56 17.31 22.82 59.60 16.91 23.45 59.18 17.11 23.13 59.39 1 0 8.98 -999 ? O6 UNL A 129 >ALA.A 57 18.07 22.60 55.88 19.47 22.58 55.26 18.77 22.59 55.57 2 0 9.45 -999 ? O6 UNL A 129 >ARG^A 58 11.86 21.51 52.99 9.98 20.22 50.94 10.92 20.87 51.96 2 0 13.97 -999 ? O6 UNL A 129 >HIS^A 59 18.70 17.80 52.01 20.37 18.83 52.73 19.54 18.31 52.37 3 0 8.19 -999 ? O6 UNL A 129 >ALA^A 60 13.60 17.00 48.79 12.63 18.13 48.48 13.12 17.57 48.64 2 0 13.38 -999 ? O6 UNL A 129 >GLY~A 61 13.25 14.15 46.36 13.70 14.06 47.04 13.48 14.11 46.70 1 0 11.05 -999 ? O1 EDO A 131 >ARG~A 62 15.01 7.22 44.63 12.08 6.60 43.86 13.55 6.91 44.24 2 0 -3.46 -999 ? C1 EDO A 131s >GLN~A 63 19.43 13.14 42.64 19.43 14.28 40.84 19.43 13.71 41.74 2 0 13.03 -999 ? C1 EDO A 131 >ALA~A 64 18.82 14.78 47.06 17.95 16.00 47.33 18.39 15.39 47.19 2 0 12.18 -999 ? O5 UNL A 129 >CYH~A 65 18.08 12.40 49.94 15.51 13.08 50.65 16.79 12.74 50.29 2 0 8.98 -999 ? O5 UNL A 129 >VAL~A 66 20.29 9.61 48.48 20.14 7.95 47.04 20.22 8.78 47.76 3 0 9.64 -999 ? C1 EDO A 131 >GLN~A 67 24.40 13.99 46.70 24.27 15.55 45.21 24.34 14.77 45.96 2 0 14.88 -999 ? O5 UNL A 129 >LEU~A 68 21.95 14.30 52.02 22.12 15.56 53.83 22.04 14.93 52.92 3 0 7.06 -999 ? O6 UNL A 129 >TRP~A 69 20.92 10.34 55.51 17.17 9.73 54.59 19.05 10.04 55.05 3 0 -4.19 -999 ? O5 UNL A 129s >SER~A 70 25.43 8.60 50.85 26.33 7.71 48.81 25.88 8.15 49.83 2 0 12.21 -999 ? O4 UNL A 129 >ALA~A 71 27.95 11.31 51.62 27.76 12.80 51.33 27.86 12.05 51.48 2 0 10.93 -999 ? O4 UNL A 129 >ILE~A 72 25.89 11.22 56.10 25.05 11.88 57.02 25.47 11.55 56.56 3 0 5.52 -999 ? O4 UNL A 129 >ALA~A 73 27.65 7.19 55.23 26.73 6.22 54.46 27.19 6.70 54.84 2 0 8.26 -999 ? O3 UNL A 129 >THR~A 74 30.96 7.32 53.44 30.25 7.16 51.39 30.60 7.24 52.42 2 0 12.67 -999 ? O4 UNL A 129 >GLN.A 75 33.09 12.57 56.02 32.25 14.28 56.91 32.67 13.43 56.46 2 0 12.24 -999 ? O4 UNL A 129 >PRO.A 76 36.97 9.73 54.10 35.61 9.43 55.87 36.29 9.58 54.99 3 0 15.94 -999 ? O4 UNL A 129 >GLY.A 77 36.73 9.12 59.99 36.00 9.07 59.71 36.36 9.10 59.85 1 0 15.41 -999 ? O2 UNL A 129 >THR.A 78 33.06 9.33 60.93 32.38 10.66 59.41 32.72 10.00 60.17 2 0 11.36 -999 ? O4 UNL A 129 >ARG^A 79 33.12 4.86 64.52 32.65 4.53 67.52 32.88 4.69 66.02 2 0 9.56 -999 ? CL CL A 130 >PHE^A 80 25.80 7.63 62.75 25.30 9.88 61.16 25.55 8.75 61.95 3 0 4.33 -999 ? O2 UNL A 129 >ASP^A 81 27.17 4.63 68.84 29.24 4.44 68.92 28.20 4.54 68.88 2 0 6.43 -999 ? CL CL A 130 >LEU^A 82 22.33 2.26 66.94 21.83 2.29 64.81 22.08 2.28 65.87 3 0 5.33 -999 ? O1 UNL A 129 >GLU^A 83 22.50 6.33 71.76 22.22 8.27 72.60 22.36 7.30 72.18 2 0 -3.69 -999 ? CL CL A 130s >GLU^A 84 15.68 2.66 71.74 14.32 3.60 73.03 15.00 3.13 72.39 2 0 11.96 -999 ? CL CL A 130 >THR^A 85 15.45 2.38 67.50 15.88 1.77 65.47 15.67 2.07 66.48 2 0 7.68 -999 ? O1 UNL A 129 >PHE^A 86 9.92 3.40 70.04 7.23 3.11 70.65 8.57 3.26 70.35 3 0 15.75 -999 ? O1 UNL A 129 >VAL^A 87 9.07 1.64 66.01 9.64 0.37 64.32 9.35 1.01 65.16 3 0 13.33 -999 ? O1 UNL A 129 >ALA^A 88 5.33 2.11 66.03 4.86 3.01 67.21 5.10 2.56 66.62 2 0 17.68 -999 ? O1 UNL A 129 >GLY.A 89 3.20 1.66 62.95 4.05 1.74 62.99 3.62 1.70 62.97 1 0 18.66 -999 ? O1 UNL A 129 >ASP.A 90 3.72 4.30 59.01 2.53 3.00 57.97 3.12 3.65 58.49 2 0 16.12 -999 ? O1 EDO A 131 >ARG^A 91 4.91 8.82 62.95 3.54 11.44 62.59 4.23 10.13 62.77 2 0 16.15 -999 ? O5 UNL A 129 >ALA^A 92 10.18 5.30 64.11 11.09 4.39 63.34 10.63 4.84 63.72 2 0 10.55 -999 ? O1 UNL A 129 >THR^A 93 12.65 7.15 66.22 11.65 7.72 68.08 12.15 7.43 67.15 2 0 11.72 -999 ? O2 UNL A 129 >ILE^A 94 17.04 6.12 64.61 17.42 5.38 63.51 17.23 5.75 64.06 3 0 4.96 -999 ? O1 UNL A 129 >ARG^A 95 17.14 8.74 72.19 17.94 6.45 74.14 17.54 7.59 73.16 2 0 7.82 -999 ? CL CL A 130 >TRP^A 96 20.59 9.05 64.96 22.50 12.47 64.98 21.55 10.76 64.97 3 0 4.84 -999 ? O2 UNL A 129 >ARG^A 97 28.57 9.15 71.29 27.83 10.64 73.84 28.20 9.90 72.57 2 0 -3.98 -999 ? CL CL A 130s >TYR^A 98 27.81 12.16 63.64 29.22 12.84 61.31 28.51 12.50 62.47 3 0 8.38 -999 ? O4 UNL A 129 >TRP^A 99 30.74 7.76 67.51 32.86 8.67 70.67 31.80 8.21 69.09 3 0 7.56 -999 ? CL CL A 130 >MET?A 100 33.24 13.26 63.80 31.25 16.74 65.07 32.24 15.00 64.44 2 0 13.36 -999 ? O4 UNL A 129 >ALA.A 101 36.64 13.08 62.10 36.94 13.54 60.68 36.79 13.31 61.39 2 0 16.31 -999 ? O4 UNL A 129 >ASP.A 102 37.73 16.91 64.93 35.82 17.21 65.78 36.78 17.06 65.36 2 0 16.11 -999 ? CL CL A 130 >GLY.A 103 37.30 12.92 67.47 36.74 13.49 67.30 37.02 13.20 67.39 1 0 14.21 -999 ? CL CL A 130 >ASN.A 104 34.04 16.34 68.64 35.61 17.61 69.33 34.83 16.97 68.99 2 0 14.89 -999 ? CL CL A 130 >SER^A 105 30.81 13.41 69.06 30.45 12.23 71.17 30.63 12.82 70.11 2 0 7.22 -999 ? CL CL A 130 >VAL^A 106 27.27 14.63 69.36 26.23 16.05 68.01 26.75 15.34 68.69 3 0 9.39 -999 ? CL CL A 130 >ARG^A 107 23.98 11.73 74.07 21.42 10.79 75.47 22.70 11.26 74.77 2 0 5.86 -999 ? CL CL A 130 >GLY^A 108 20.99 13.13 68.10 21.01 12.39 68.45 21.00 12.76 68.28 1 0 8.73 -999 ? O2 UNL A 129 >VAL^A 109 17.80 11.62 66.92 15.85 11.99 67.90 16.82 11.81 67.41 3 0 8.71 -999 ? O6 UNL A 129 >ASN^A 110 16.41 10.00 62.58 18.18 10.51 61.55 17.29 10.26 62.06 2 0 -3.33 -999 ? O5 UNL A 129s >LEU^A 111 11.35 12.29 63.78 11.15 13.32 65.73 11.25 12.80 64.76 3 0 9.75 -999 ? O6 UNL A 129 >MET?A 112 11.22 8.72 60.55 14.59 8.55 59.54 12.90 8.64 60.05 2 0 5.82 -999 ? O5 UNL A 129 >ARG^A 113 4.68 10.07 58.56 4.30 11.53 55.91 4.49 10.80 57.23 2 0 15.21 -999 ? O5 UNL A 129 >VAL^A 114 7.25 5.45 56.05 8.07 3.36 56.17 7.66 4.40 56.11 3 0 11.84 -999 ? O1 EDO A 131 >GLN^A 115 2.77 6.72 52.26 2.21 8.72 51.91 2.49 7.72 52.09 2 0 13.52 -999 ? O1 EDO A 131 >ASP.A 116 3.61 3.20 49.66 1.58 3.76 49.55 2.60 3.48 49.61 2 0 11.87 -999 ? O1 EDO A 131 >GLY.A 117 7.02 0.76 52.30 7.08 1.51 52.10 7.05 1.13 52.20 1 0 9.20 -999 ? O1 EDO A 131 >ARG^A 118 10.23 3.45 47.85 8.94 1.41 45.97 9.59 2.43 46.91 2 0 -4.18 -999 ? O1 EDO A 131s >ILE^A 119 12.34 6.68 54.21 13.40 6.60 55.04 12.87 6.64 54.63 3 0 9.27 -999 ? O5 UNL A 129 >VAL^A 120 8.93 9.63 53.01 6.83 9.07 53.05 7.88 9.35 53.03 3 0 10.90 -999 ? O1 EDO A 131 >GLU^A 121 9.11 14.04 56.83 7.33 15.22 56.98 8.22 14.63 56.90 2 0 12.22 -999 ? O6 UNL A 129 >ALA^A 122 13.25 11.99 58.01 14.51 11.39 57.40 13.88 11.69 57.70 2 0 4.94 -999 ? O5 UNL A 129 >MET?A 123 13.66 14.77 60.62 9.72 16.34 61.04 11.69 15.55 60.83 2 0 9.96 -999 ? O6 UNL A 129 >GLY^A 124 16.98 15.15 62.40 16.51 15.79 62.45 16.74 15.47 62.42 1 0 3.96 -999 ? O6 UNL A 129 >TYR^A 125 15.37 17.41 65.95 12.92 18.09 64.78 14.14 17.75 65.37 3 0 8.71 -999 ? O6 UNL A 129 >VAL^A 126 20.93 17.13 67.94 22.26 17.90 66.36 21.60 17.52 67.15 3 0 8.83 -999 ? O6 UNL A 129 >LYS.A 127 22.08 18.36 71.31 19.09 15.38 74.80 20.59 16.87 73.06 2 0 10.51 -999 ? CL CL A 130 >GLY.A 128 22.90 22.00 70.81 23.21 21.70 71.47 23.05 21.85 71.14 1 0 14.40 -999 ? O6 UNL A 129