REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-FEB-10 3LWC COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 14-131; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM LEGUMINOSARUM; SOURCE 3 ORGANISM_TAXID: 216596; SOURCE 4 STRAIN: BV. VICIAE STR. 3841; SOURCE 5 GENE: RL1159; 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 16 5 HET MSE A 18 16 HET MSE A 69 8 HET MSE A 75 16 HET MSE A 101 16 HET SO4 A 1 5 HET SO4 A 2 5 HET EDO A 3 4 SITE 1 AC1 7 LYS A 20 ARG A 81 VAL A 91 THR A 92 SITE 1 AC2 3 ARG A 19 GLY A 41 ASN A 42 SITE 1 AC3 4 PRO A 95 GLY A 96 HOH A 132 HOH A 136 >MET?A 18 39.56 48.34 26.11 38.51 44.74 26.05 39.03 46.54 26.08 2 0 13.52 -999 ? O1 SO4 A 2 >ARG.A 19 35.57 52.06 27.98 33.20 53.87 28.73 34.38 52.96 28.36 2 0 -2.68 -999 ? O1 SO4 A 2s >LYS.A 20 32.99 45.79 26.43 30.70 39.95 27.42 31.84 42.87 26.93 2 0 -10.39 -999 ? O2 EDO A 3s >PHE.A 21 30.01 49.19 25.67 31.86 51.17 26.28 30.94 50.18 25.98 3 0 6.46 -999 ? O1 SO4 A 2 >THR~A 22 26.16 44.76 25.83 26.45 43.23 27.35 26.30 43.99 26.59 2 0 7.10 -999 ? O2 EDO A 3 >ILE~A 23 21.49 44.86 24.40 20.28 44.37 23.90 20.89 44.62 24.15 3 0 7.45 -999 ? O2 EDO A 3 >ALA~A 24 21.92 44.78 29.07 22.49 43.58 29.86 22.21 44.18 29.46 2 0 3.86 -999 ? C2 EDO A 3 >ASP~A 25 25.24 48.38 29.23 26.81 47.07 29.77 26.02 47.72 29.50 2 0 9.21 -999 ? C2 EDO A 3 >ALA~A 26 21.04 50.08 28.29 20.74 50.07 26.81 20.89 50.08 27.55 2 0 10.28 -999 ? C2 EDO A 3 >SER~A 27 18.18 48.36 30.09 19.09 48.57 32.30 18.64 48.46 31.20 2 0 7.87 -999 ? C2 EDO A 3 >LEU~A 28 16.21 48.32 25.68 17.66 49.25 24.30 16.93 48.79 24.99 3 0 10.66 -999 ? C2 EDO A 3 >GLU~A 29 11.70 46.15 29.62 10.09 47.45 29.42 10.89 46.80 29.52 2 0 12.22 -999 ? C2 EDO A 3 >ARG~A 30 16.86 50.99 34.69 19.75 50.55 35.58 18.31 50.77 35.14 2 0 10.63 -999 ? C2 EDO A 3 >SER.A 31 12.61 52.10 29.70 14.99 51.90 29.60 13.80 52.00 29.65 2 0 12.34 -999 ? C2 EDO A 3 >PRO.A 32 9.04 53.79 31.08 9.66 52.71 29.25 9.35 53.25 30.17 3 0 16.52 -999 ? C2 EDO A 3 >GLY.A 33 8.42 53.64 25.32 8.27 52.87 25.38 8.35 53.25 25.35 1 0 18.39 -999 ? C2 EDO A 3 >GLN.A 34 5.09 53.53 21.49 4.42 51.54 21.82 4.76 52.54 21.66 2 0 18.95 -999 ? O3 SO4 A 1 >GLU^A 35 10.65 54.38 18.68 8.73 55.29 18.67 9.69 54.83 18.67 2 0 18.18 -999 ? O3 SO4 A 1 >ALA^A 36 14.12 53.69 23.34 13.92 52.81 24.55 14.02 53.25 23.94 2 0 15.11 -999 ? C2 EDO A 3 >ASP^A 37 17.74 55.63 21.07 16.64 54.88 19.48 17.19 55.26 20.27 2 0 17.15 -999 ? O3 SO4 A 2 >ILE^A 38 19.37 53.74 26.36 18.67 53.66 27.67 19.02 53.70 27.02 3 0 12.03 -999 ? O2 SO4 A 2 >SER^A 39 23.68 55.38 25.48 23.92 57.72 24.90 23.80 56.55 25.19 2 0 7.84 -999 ? O3 SO4 A 2 >VAL^A 40 25.90 52.81 27.14 25.39 50.97 26.07 25.65 51.89 26.61 3 0 7.40 -999 ? O1 SO4 A 2 >GLY^A 41 29.32 54.48 26.77 28.79 54.90 26.28 29.05 54.69 26.53 1 0 -3.40 -999 ? O1 SO4 A 2s >ASN^A 42 30.83 58.95 26.53 28.75 59.28 26.60 29.79 59.11 26.56 2 0 -3.79 -999 ? O3 SO4 A 2s >LEU^A 43 34.54 55.98 23.02 33.60 54.00 22.71 34.07 54.99 22.87 3 0 6.84 -999 ? O1 SO4 A 2 >GLY.A 50 34.44 63.46 21.34 34.44 64.32 21.31 34.44 63.89 21.33 1 0 11.14 -999 ? O3 SO4 A 2 >PRO.A 51 29.99 63.60 23.07 32.12 63.15 22.45 31.05 63.37 22.76 3 0 9.09 -999 ? O3 SO4 A 2 >ILE^A 52 33.06 58.61 19.86 33.86 58.26 18.79 33.46 58.44 19.32 3 0 10.34 -999 ? O1 SO4 A 2 >THR^A 53 28.86 57.58 21.99 27.40 58.82 23.00 28.13 58.20 22.50 2 0 7.38 -999 ? O3 SO4 A 2 >ILE^A 54 28.80 52.82 21.89 29.87 52.16 22.29 29.33 52.49 22.09 3 0 8.04 -999 ? O1 SO4 A 2 >GLY^A 55 24.19 52.93 22.41 24.48 52.47 21.82 24.34 52.70 22.11 1 0 10.25 -999 ? O1 SO4 A 2 >TYR^A 56 22.70 48.29 22.66 24.99 46.73 22.58 23.84 47.51 22.62 3 0 10.97 -999 ? O2 EDO A 3 >GLY^A 57 17.92 50.90 20.55 18.13 50.12 20.63 18.03 50.51 20.59 1 0 14.64 -999 ? O2 EDO A 3 >ARG^A 58 12.27 47.42 23.43 10.61 49.80 24.29 11.44 48.61 23.86 2 0 14.88 -999 ? C2 EDO A 3 >TYR^A 59 12.92 50.95 16.82 14.95 52.77 16.31 13.94 51.86 16.56 3 0 14.11 -999 ? O3 SO4 A 1 >ALA.A 60 8.14 48.19 19.23 7.03 48.85 20.04 7.58 48.52 19.63 2 0 15.22 -999 ? O3 SO4 A 1 >PRO.A 61 6.14 44.66 17.64 6.64 46.73 16.90 6.39 45.70 17.27 3 0 11.77 -999 ? O3 SO4 A 1 >GLY.A 62 4.86 48.97 13.76 5.33 49.25 14.28 5.09 49.11 14.02 1 0 12.09 -999 ? O3 SO4 A 1 >GLN.A 63 6.22 51.54 17.26 4.19 51.92 17.60 5.21 51.73 17.43 2 0 16.47 -999 ? O3 SO4 A 1 >SER^A 64 7.57 55.15 13.22 5.48 55.76 12.19 6.52 55.46 12.70 2 0 16.66 -999 ? O3 SO4 A 1 >LEU^A 65 9.65 58.44 15.03 11.24 57.33 15.82 10.44 57.88 15.42 3 0 18.59 -999 ? O3 SO4 A 1 >THR^A 66 10.73 61.20 11.82 9.81 61.91 9.95 10.27 61.55 10.89 2 0 21.18 -999 ? O3 SO4 A 1 >THR^A 68 16.27 65.63 11.83 16.24 67.64 11.01 16.25 66.64 11.42 2 0 25.34 -999 ? O3 SO4 A 2 >MET?A 69 19.55 64.10 12.92 19.20 60.73 12.75 19.38 62.42 12.84 2 0 20.42 -999 ? O3 SO4 A 2 >ALA.A 70 21.34 66.12 15.61 20.90 66.15 17.09 21.12 66.13 16.35 2 0 17.78 -999 ? O3 SO4 A 2 >VAL.A 71 24.60 64.13 15.12 25.17 62.69 16.71 24.89 63.41 15.92 3 0 15.87 -999 ? O3 SO4 A 2 >ASP^A 72 27.52 61.50 12.11 27.88 62.60 10.35 27.70 62.05 11.23 2 0 20.17 -999 ? O3 SO4 A 2 >ASP^A 73 23.21 58.30 13.87 22.35 56.71 14.99 22.78 57.51 14.43 2 0 16.72 -999 ? O3 SO4 A 2 >VAL^A 74 25.97 54.76 12.30 27.94 54.23 11.52 26.95 54.49 11.91 3 0 17.81 -999 ? O1 SO4 A 2 >MET?A 75 23.19 52.31 13.22 20.14 50.81 12.55 21.67 51.56 12.88 2 0 13.71 -999 ? O4 SO4 A 1 >ILE^A 76 24.57 47.74 13.16 25.40 46.69 13.47 24.98 47.21 13.31 3 0 14.64 -999 ? O4 SO4 A 1 >VAL^A 77 20.12 46.39 13.11 18.20 46.40 12.07 19.16 46.40 12.59 3 0 9.89 -999 ? O4 SO4 A 1 >LEU^A 78 20.95 43.58 16.87 22.82 44.43 17.52 21.89 44.01 17.20 3 0 13.20 -999 ? O4 SO4 A 1 >GLU^A 79 17.78 40.50 17.46 18.38 38.68 16.49 18.08 39.59 16.97 2 0 9.92 -999 ? O4 SO4 A 1 >GLY^A 80 13.88 42.57 13.52 14.64 42.61 13.18 14.26 42.59 13.35 1 0 6.21 -999 ? O3 SO4 A 1 >ARG^A 81 12.63 44.21 7.22 15.17 42.94 6.14 13.90 43.57 6.68 2 0 -3.93 -999 ? O4 SO4 A 1s >LEU^A 82 14.69 49.79 10.81 14.70 50.26 12.94 14.69 50.03 11.88 3 0 10.36 -999 ? O3 SO4 A 1 >SER^A 83 12.97 50.94 7.01 11.36 49.65 5.78 12.16 50.30 6.40 2 0 9.01 -999 ? O3 SO4 A 1 >VAL^A 84 14.81 54.27 6.84 16.59 54.49 8.12 15.70 54.38 7.48 3 0 14.05 -999 ? O3 SO4 A 1 >SER^A 85 13.74 57.02 4.44 11.70 55.79 4.01 12.72 56.40 4.23 2 0 15.39 -999 ? O3 SO4 A 1 >THR.A 86 14.85 60.44 3.40 16.87 60.20 2.84 15.86 60.32 3.12 2 0 20.61 -999 ? O3 SO4 A 1 >GLY.A 88 15.30 60.98 -1.85 15.03 60.53 -1.29 15.16 60.76 -1.57 1 0 22.62 -999 ? O3 SO4 A 1 >THR^A 90 14.11 54.34 1.30 12.06 53.93 1.96 13.08 54.13 1.63 2 0 14.33 -999 ? O3 SO4 A 1 >VAL^A 91 16.27 51.45 2.45 18.22 52.36 2.82 17.25 51.90 2.64 3 0 -13.40 -999 ? O3 SO4 A 1s >THR^A 92 15.46 48.51 4.68 14.36 46.71 4.43 14.91 47.61 4.56 2 0 -7.27 -999 ? O3 SO4 A 1s >ALA^A 93 17.83 47.08 7.23 18.63 48.10 8.04 18.23 47.59 7.63 2 0 9.76 -999 ? O4 SO4 A 1 >GLY.A 94 17.64 43.63 8.71 18.37 44.04 8.69 18.00 43.84 8.70 1 0 5.65 -999 ? O4 SO4 A 1 >PRO.A 95 18.15 40.46 11.55 19.46 42.01 10.65 18.80 41.23 11.10 3 0 -6.27 -999 ? O4 SO4 A 1s >GLY.A 96 23.64 42.75 10.44 23.06 43.24 10.23 23.35 42.99 10.33 1 0 -10.72 -999 ? O4 SO4 A 1s >GLU.A 97 21.64 44.16 6.42 20.10 43.89 5.00 20.87 44.02 5.71 2 0 8.13 -999 ? O4 SO4 A 1 >ILE^A 98 25.58 49.36 8.69 26.85 49.51 9.28 26.21 49.43 8.98 3 0 15.90 -999 ? O4 SO4 A 1 >VAL^A 99 22.46 52.56 7.93 20.35 52.79 7.38 21.41 52.68 7.65 3 0 15.10 -999 ? O4 SO4 A 1 >TYR^A 100 26.32 57.43 7.43 27.32 60.01 7.63 26.82 58.72 7.53 3 0 22.25 -999 ? O1 SO4 A 2 >MET?A 101 22.28 58.78 8.88 20.59 56.01 10.82 21.44 57.39 9.85 2 0 17.74 -999 ? O3 SO4 A 1 >PRO^A 102 23.62 61.98 6.26 23.75 61.49 8.43 23.68 61.74 7.34 3 0 23.69 -999 ? O3 SO4 A 2 >LYS^A 103 23.77 65.09 10.79 26.95 69.39 14.29 25.36 67.24 12.54 2 0 19.66 -999 ? O3 SO4 A 2 >GLY^A 104 21.11 67.47 9.54 21.01 66.71 9.41 21.06 67.09 9.48 1 0 24.19 -999 ? O3 SO4 A 2 >GLU^A 105 19.02 63.01 5.72 19.91 62.99 3.78 19.46 63.00 4.75 2 0 23.91 -999 ? O3 SO4 A 1 >THR^A 106 15.58 64.37 8.17 14.02 65.81 8.41 14.80 65.09 8.29 2 0 25.01 -999 ? O3 SO4 A 1 >VAL^A 107 14.95 60.67 8.35 16.85 60.01 9.23 15.90 60.34 8.79 3 0 19.89 -999 ? O3 SO4 A 1 >THR^A 108 11.83 58.53 8.88 9.82 58.76 8.14 10.82 58.64 8.51 2 0 17.95 -999 ? O3 SO4 A 1 >ILE^A 109 13.39 55.22 11.94 14.67 55.01 12.60 14.03 55.11 12.27 3 0 15.03 -999 ? O3 SO4 A 1 >ARG^A 110 6.78 51.76 8.12 7.27 49.15 6.47 7.03 50.46 7.29 2 0 9.49 -999 ? O3 SO4 A 1 >SER^A 111 9.75 49.39 12.59 9.73 48.26 14.76 9.74 48.82 13.68 2 0 10.22 -999 ? O3 SO4 A 1 >HIS^A 112 9.48 46.28 8.78 10.17 47.20 7.02 9.82 46.74 7.90 3 0 6.13 -999 ? O3 SO4 A 1 >GLU^A 113 4.09 43.39 10.69 2.45 42.23 9.95 3.27 42.81 10.32 2 0 9.58 -999 ? O3 SO4 A 1 >GLY^A 115 9.95 45.43 15.98 10.27 44.90 15.44 10.11 45.16 15.71 1 0 9.40 -999 ? O3 SO4 A 1 >ALA^A 116 13.69 45.94 16.01 14.05 46.99 14.93 13.87 46.46 15.47 2 0 9.55 -999 ? O3 SO4 A 1 >LEU^A 117 17.32 44.83 19.00 16.34 44.08 20.80 16.83 44.45 19.90 3 0 11.73 -999 ? O2 EDO A 3 >THR^A 118 19.81 48.13 17.15 18.74 49.89 16.54 19.27 49.01 16.85 2 0 14.27 -999 ? O3 SO4 A 1 >ALA^A 119 23.28 49.22 18.21 24.51 48.28 18.40 23.89 48.75 18.31 2 0 14.76 -999 ? O2 EDO A 3 >TYR^A 120 23.01 54.06 18.31 22.02 55.11 20.71 22.51 54.59 19.51 3 0 13.13 -999 ? O3 SO4 A 2 >VAL^A 121 27.64 54.89 17.33 29.68 54.18 17.25 28.66 54.53 17.29 3 0 12.20 -999 ? O1 SO4 A 2 >THR^A 122 27.27 58.68 17.13 25.63 59.14 18.43 26.45 58.91 17.78 2 0 12.28 -999 ? O3 SO4 A 2 >TYR^A 123 30.90 60.33 14.60 30.34 59.81 11.97 30.62 60.07 13.28 3 0 16.40 -999 ? O1 SO4 A 2 >PRO^A 124 31.99 64.75 18.13 30.47 64.23 16.52 31.23 64.49 17.33 3 0 14.25 -999 ? O3 SO4 A 2 >HIS^A 125 30.22 67.46 11.84 28.78 66.75 10.49 29.50 67.10 11.16 3 0 20.88 -999 ? O3 SO4 A 2