REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAY-07 2Q3T COMPND PROTEIN AT3G22680; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: THALE CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 STRAIN: CV. COLUMBIA; SOURCE 6 GENE: AT3G22680, MWI23.5; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: ROSETTA; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PVP13 AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENTER FOR AUTHOR 2 EUKARYOTIC STRUCTURAL GENOMICS (CESG) HET SO4 A 300 5 HET SO4 A 301 5 HET SO4 A 302 5 HET CPS A 200 32 HET EDO A 401 4 HET EDO A 402 4 HET EDO A 403 4 HET EDO A 404 4 SITE 1 AC1 5 LEU A 38 ARG A 40 ARG A 41 LEU A 77 SITE 1 AC2 7 THR A 100 ASP A 101 SER A 132 HIS A 133 SITE 1 AC3 5 PRO A 55 THR A 56 ASN A 57 HOH A 485 SITE 1 AC4 10 ARG A 41 MET A 44 TYR A 48 SER A 73 SITE 1 AC5 8 TYR A 45 TYR A 48 PRO A 81 ILE A 150 SITE 1 AC6 8 LEU A 85 LEU A 89 TRP A 93 HIS A 127 SITE 1 AC7 6 SER A 73 GLN A 76 ILE A 153 CPS A 200 SITE 1 AC8 7 LYS A 75 ASN A 87 SER A 148 PHE A 149 >GLY.A 36 31.88 48.26 -20.41 32.28 48.48 -19.76 32.08 48.37 -20.09 1 0 12.78 -999 ? O2 SO4 A 301 >SER.A 37 35.08 47.26 -18.23 36.35 47.47 -16.59 35.71 47.36 -17.41 2 0 11.86 -999 ? C14 CPS A 200 >LEU~A 38 34.46 44.07 -15.30 36.22 44.19 -14.16 35.34 44.13 -14.73 3 0 -9.16 -999 ? C14 CPS A 200s >LEU~A 39 31.42 43.22 -20.64 29.89 44.68 -20.40 30.66 43.95 -20.52 3 0 9.08 -999 ? O2 SO4 A 301 >ARG~A 40 37.39 40.26 -23.50 40.70 41.05 -22.58 39.04 40.65 -23.04 2 0 -8.27 -999 ? C14 CPS A 200s >ARG~A 41 37.09 40.76 -15.00 39.95 41.40 -15.47 38.52 41.08 -15.24 2 0 5.52 -999 ? C14 CPS A 200s >ALA~A 42 31.78 38.61 -16.34 30.98 39.95 -16.01 31.38 39.28 -16.18 2 0 7.38 -999 ? C11 CPS A 200 >GLU~A 43 29.35 37.29 -21.95 29.57 38.11 -23.85 29.46 37.70 -22.90 2 0 7.22 -999 ? O1 SO4 A 301 >MET~A 44 32.43 34.13 -19.73 36.10 34.30 -21.58 34.26 34.21 -20.66 2 0 -3.76 -999 ? C17 CPS A 200s >TYR~A 45 31.87 34.10 -13.47 31.21 33.05 -10.89 31.54 33.57 -12.18 3 0 -4.78 -999 ? C1 EDO A 401s >GLN~A 46 25.75 35.10 -15.65 25.55 34.38 -13.52 25.65 34.74 -14.58 2 0 6.61 -999 ? O1 SO4 A 301 >ASP~A 47 28.56 32.32 -20.61 27.56 33.95 -21.75 28.06 33.13 -21.18 2 0 5.64 -999 ? O1 SO4 A 301 >TYR~A 48 31.77 28.09 -16.56 32.70 25.57 -15.58 32.23 26.83 -16.07 3 0 4.08 -999 ? C21 CPS A 200s >MET~A 49 27.95 28.90 -14.20 29.92 28.96 -11.63 28.94 28.93 -12.91 2 0 4.03 -999 ? C1 EDO A 401 >LYS~A 50 24.44 28.95 -15.86 24.18 32.74 -20.97 24.31 30.84 -18.42 2 0 4.11 -999 ? O3 SO4 A 301 >GLN~A 51 26.32 26.55 -19.64 27.83 26.21 -21.27 27.08 26.38 -20.46 2 0 7.98 -999 ? C10 CPS A 200 >VAL.A 52 26.53 23.85 -14.34 28.22 24.37 -12.92 27.37 24.11 -13.63 3 0 7.83 -999 ? O2 EDO A 401 >PRO.A 53 24.86 19.66 -13.70 24.22 21.94 -13.65 24.54 20.80 -13.68 3 0 6.67 -999 ? O3 SO4 A 302 >ILE.A 54 21.00 22.76 -9.48 21.18 23.70 -8.30 21.09 23.23 -8.89 3 0 8.52 -999 ? O2 SO4 A 302 >PRO.A 55 24.82 19.05 -7.61 22.75 18.92 -8.66 23.78 18.98 -8.14 3 0 -4.71 -999 ? O1 SO4 A 302s >THR.A 56 19.21 16.39 -8.09 18.28 15.91 -9.97 18.74 16.15 -9.03 2 0 -3.90 -999 ? O2 SO4 A 302s >ASN.A 57 21.24 12.26 -6.70 20.12 11.41 -8.24 20.68 11.83 -7.47 2 0 -3.95 -999 ? O1 SO4 A 302s >ARG.A 58 20.92 17.65 -3.19 19.08 20.06 -4.05 20.00 18.85 -3.62 2 0 8.08 -999 ? O1 SO4 A 302 >GLY.A 59 23.52 12.99 0.04 22.87 13.52 0.24 23.20 13.25 0.14 1 0 3.99 -999 ? O4 SO4 A 300 >SER.A 60 22.80 12.78 3.87 23.31 10.41 4.15 23.06 11.59 4.01 2 0 4.56 -999 ? O4 SO4 A 300 >LEU.A 61 22.13 16.03 7.32 22.64 15.74 9.78 22.39 15.89 8.55 3 0 9.48 -999 ? O4 SO4 A 300 >ILE.A 62 26.66 18.33 5.04 27.48 18.78 3.87 27.07 18.56 4.46 3 0 7.67 -999 ? O2 SO4 A 300 >PRO.A 63 27.99 16.50 10.15 27.42 18.38 9.17 27.70 17.44 9.66 3 0 9.23 -999 ? C1 EDO A 403 >PHE.A 64 26.78 23.69 8.59 24.07 24.75 8.88 25.42 24.22 8.74 3 0 11.34 -999 ? C1 EDO A 403 >THR.A 65 29.86 25.18 11.73 31.64 24.16 12.39 30.75 24.67 12.06 2 0 8.92 -999 ? C1 EDO A 403 >SER~A 66 29.70 28.08 9.39 32.04 28.13 8.27 30.87 28.11 8.83 2 0 9.17 -999 ? C1 EDO A 403 >TRP~A 67 25.59 30.84 7.46 22.72 28.42 6.33 24.16 29.63 6.90 3 0 13.63 -999 ? O2 EDO A 404 >VAL~A 68 31.27 28.99 4.37 32.69 30.58 4.03 31.98 29.78 4.20 3 0 6.81 -999 ? O2 EDO A 404 >GLY~A 69 32.23 25.71 5.93 31.60 25.89 5.53 31.91 25.80 5.73 1 0 6.49 -999 ? C1 EDO A 403 >LEU~A 70 27.60 24.42 5.28 25.86 23.05 4.99 26.73 23.74 5.14 3 0 9.34 -999 ? O1 EDO A 403 >SER~A 71 29.38 25.03 1.18 30.50 27.19 1.51 29.94 26.11 1.35 2 0 6.81 -999 ? C2 EDO A 404 >ILE~A 72 34.40 24.26 2.14 35.74 24.62 2.43 35.07 24.44 2.28 3 0 4.94 -999 ? O1 EDO A 403 >SER~A 73 31.77 20.39 2.17 31.67 20.29 4.60 31.72 20.34 3.39 2 0 3.53 -999 ? O1 EDO A 403s >MET~A 74 29.27 20.68 -0.68 26.02 23.11 0.35 27.65 21.90 -0.17 2 0 10.35 -999 ? O1 EDO A 403 >LYS~A 75 31.78 21.66 -3.43 33.04 28.06 -2.59 32.41 24.86 -3.01 2 0 -3.51 -999 ? C2 EDO A 404s >GLN~A 76 35.91 19.93 -0.51 36.61 19.72 1.36 36.26 19.82 0.42 2 0 3.04 -999 ? O1 EDO A 403s >LEU~A 77 30.40 16.30 -1.00 30.27 15.28 0.96 30.34 15.79 -0.02 3 0 -3.71 -999 ? O2 SO4 A 300s >TYR~A 78 27.08 17.71 -4.35 24.98 16.97 -2.70 26.03 17.34 -3.52 3 0 6.15 -999 ? O2 SO4 A 300 >GLY~A 79 32.35 18.64 -7.25 31.75 18.95 -7.17 32.05 18.80 -7.21 1 0 9.52 -999 ? O3 SO4 A 302 >GLN.A 80 28.90 20.85 -9.35 26.81 21.20 -9.61 27.85 21.02 -9.48 2 0 6.84 -999 ? O3 SO4 A 302 >PRO.A 81 31.54 25.62 -10.38 31.62 24.84 -8.18 31.58 25.23 -9.28 3 0 -4.18 -999 ? O2 EDO A 401s >LEU.A 82 29.07 28.01 -4.72 27.90 26.49 -3.69 28.49 27.25 -4.21 3 0 7.65 -999 ? C2 EDO A 404 >HIS~A 83 27.00 32.94 -9.06 26.77 34.65 -10.35 26.89 33.79 -9.71 3 0 7.80 -999 ? O1 EDO A 402 >TYR~A 84 30.76 37.07 -6.99 31.10 39.64 -5.84 30.93 38.36 -6.41 3 0 8.09 -999 ? O2 EDO A 402 >LEU~A 85 25.49 35.99 -6.16 25.17 37.75 -7.43 25.33 36.87 -6.79 3 0 -3.58 -999 ? O1 EDO A 402s >THR~A 86 26.36 32.61 -3.30 25.66 30.50 -3.74 26.01 31.55 -3.52 2 0 7.90 -999 ? O1 EDO A 402 >ASN~A 87 31.22 32.72 -2.52 31.48 30.80 -3.52 31.35 31.76 -3.02 2 0 -3.59 -999 ? C2 EDO A 404s >VAL~A 88 29.40 36.44 -1.01 29.35 38.46 -2.00 29.37 37.45 -1.51 3 0 7.15 -999 ? O1 EDO A 402 >LEU~A 89 24.66 35.31 -0.14 22.58 35.21 0.73 23.62 35.26 0.29 3 0 -5.42 -999 ? O1 EDO A 402s >LEU~A 90 27.94 31.70 2.11 27.11 29.92 1.37 27.53 30.81 1.74 3 0 7.86 -999 ? O2 EDO A 404 >GLN~A 91 31.91 37.62 4.61 33.56 38.12 3.06 32.73 37.87 3.83 2 0 7.38 -999 ? O2 EDO A 404 >ARG~A 92 26.51 40.24 2.31 26.89 42.21 -0.08 26.70 41.23 1.12 2 0 7.09 -999 ? O2 EDO A 402 >TRP~A 93 22.45 35.04 5.68 21.75 32.34 3.01 22.10 33.69 4.35 3 0 -9.72 -999 ? O1 EDO A 402s >ASP~A 94 29.70 33.53 8.33 29.58 31.46 8.05 29.64 32.50 8.19 2 0 10.82 -999 ? O2 EDO A 404 >GLN~A 95 30.96 38.52 7.97 31.35 39.69 6.13 31.15 39.11 7.05 2 0 11.02 -999 ? O2 EDO A 404 >SER~A 96 25.86 38.60 10.62 24.16 36.99 9.87 25.01 37.80 10.24 2 0 14.36 -999 ? O1 EDO A 402 >ARG.A 97 26.26 32.49 12.72 26.96 30.32 14.70 26.61 31.40 13.71 2 0 16.20 -999 ? C1 EDO A 403 >PHE.A 98 31.10 37.64 14.14 32.93 35.66 13.36 32.01 36.65 13.75 3 0 16.06 -999 ? O2 EDO A 404 >GLY.A 99 28.23 40.47 18.17 28.00 39.66 18.13 28.12 40.06 18.15 1 0 22.19 -999 ? O2 EDO A 404 >THR.A 100 25.57 38.24 19.63 25.22 36.07 19.75 25.39 37.16 19.69 2 0 -23.51 -999 ? O2 EDO A 404s >ASP.A 101 23.67 38.66 24.09 23.34 40.72 23.88 23.50 39.69 23.98 2 0 -28.44 -999 ? O1 EDO A 402s >SER.A 102 24.37 34.31 23.41 24.16 33.35 21.31 24.27 33.83 22.36 2 0 23.57 -999 ? C1 EDO A 403 >GLU.A 103 27.27 31.51 26.74 28.82 32.88 27.18 28.05 32.20 26.96 2 0 26.08 -999 ? C1 EDO A 403 >GLU.A 104 31.30 30.56 21.93 31.50 32.16 20.43 31.40 31.36 21.18 2 0 19.65 -999 ? C1 EDO A 403 >GLN.A 105 24.05 27.50 19.31 22.05 28.49 19.66 23.05 27.99 19.49 2 0 21.28 -999 ? C1 EDO A 403 >ARG~A 106 28.26 21.80 17.03 29.71 20.63 14.70 28.98 21.22 15.86 2 0 10.92 -999 ? C1 EDO A 403 >LEU~A 107 26.03 27.43 12.41 25.10 28.77 10.91 25.57 28.10 11.66 3 0 14.16 -999 ? C1 EDO A 403 >ASP~A 108 24.60 22.18 12.57 26.41 22.24 14.33 25.50 22.21 13.45 2 0 12.87 -999 ? C1 EDO A 403 >SER~A 109 22.12 23.72 16.49 23.05 23.77 17.87 22.58 23.74 17.18 2 0 17.96 -999 ? C1 EDO A 403 >ILE~A 110 20.85 28.00 14.70 21.01 29.41 15.07 20.93 28.71 14.88 3 0 19.35 -999 ? C1 EDO A 403 >ILE.A 111 20.42 26.57 10.15 19.14 27.63 9.72 19.78 27.10 9.94 3 0 17.75 -999 ? C1 EDO A 403 >HIS~A 112 18.49 19.74 10.38 18.88 17.58 10.18 18.69 18.66 10.28 3 0 14.02 -999 ? O4 SO4 A 300 >PRO~A 113 22.90 19.59 9.61 21.43 20.76 8.48 22.16 20.18 9.05 3 0 12.49 -999 ? O4 SO4 A 300 >THR~A 114 18.92 19.20 5.96 16.99 17.55 5.80 17.96 18.38 5.88 2 0 12.41 -999 ? O4 SO4 A 300 >LYS~A 115 17.28 22.74 5.05 11.77 23.33 5.77 14.53 23.03 5.41 2 0 19.71 -999 ? O4 SO4 A 300 >ALA~A 116 20.78 24.28 5.35 22.04 23.81 6.28 21.41 24.04 5.82 2 0 13.86 -999 ? O1 EDO A 403 >GLU~A 117 23.01 20.66 0.87 23.63 18.66 0.47 23.32 19.66 0.67 2 0 7.68 -999 ? O2 SO4 A 300 >ALA~A 118 18.71 23.03 0.62 17.17 22.65 1.37 17.94 22.84 1.00 2 0 14.09 -999 ? O1 SO4 A 302 >THR~A 119 19.11 26.68 1.02 18.91 28.10 2.57 19.01 27.39 1.79 2 0 12.62 -999 ? O1 EDO A 402 >ILE~A 120 23.74 26.37 -0.11 25.09 26.56 0.43 24.41 26.47 0.16 3 0 11.56 -999 ? C2 EDO A 404 >TRP~A 121 21.42 21.08 -2.36 24.83 21.50 -4.85 23.12 21.29 -3.60 3 0 8.58 -999 ? O1 SO4 A 302 >LEU~A 122 17.03 27.27 -2.76 15.22 25.93 -3.03 16.13 26.60 -2.90 3 0 13.20 -999 ? O1 EDO A 402 >VAL~A 123 20.20 30.33 -3.68 21.19 31.00 -1.56 20.69 30.66 -2.62 3 0 7.72 -999 ? O1 EDO A 402 >GLU~A 124 24.54 27.17 -6.99 26.15 28.48 -7.34 25.35 27.83 -7.17 2 0 8.61 -999 ? O1 EDO A 401 >GLU~A 125 17.90 27.03 -9.84 17.02 25.01 -9.80 17.46 26.02 -9.82 2 0 11.18 -999 ? O2 SO4 A 302 >ILE~A 126 18.33 32.39 -7.42 17.34 33.14 -6.59 17.84 32.77 -7.01 3 0 7.54 -999 ? C1 EDO A 402 >HIS~A 127 23.07 33.39 -6.93 22.77 34.51 -5.16 22.92 33.95 -6.04 3 0 -4.24 -999 ? O1 EDO A 402s >ARG~A 128 23.89 26.64 -10.52 25.75 24.31 -9.35 24.82 25.48 -9.93 2 0 9.43 -999 ? O2 EDO A 401 >LEU~A 129 18.74 30.56 -13.64 18.67 28.44 -14.23 18.71 29.50 -13.93 3 0 10.11 -999 ? O4 SO4 A 301 >THR~A 130 18.92 35.03 -13.31 17.75 34.87 -11.43 18.33 34.95 -12.37 2 0 8.12 -999 ? C2 EDO A 402 >PRO.A 131 23.21 36.11 -11.76 21.39 36.99 -13.02 22.30 36.55 -12.39 3 0 6.72 -999 ? O4 SO4 A 301 >SER~A 132 22.97 39.38 -16.09 22.65 41.74 -16.01 22.81 40.56 -16.05 2 0 -5.04 -999 ? O4 SO4 A 301s >HIS~A 133 27.31 39.73 -19.28 27.05 40.56 -21.20 27.18 40.15 -20.24 3 0 -4.12 -999 ? O1 SO4 A 301s >LEU~A 134 25.22 44.26 -17.60 25.78 46.38 -18.06 25.50 45.32 -17.83 3 0 7.30 -999 ? O2 SO4 A 301 >HIS~A 135 23.92 41.86 -10.91 23.40 42.12 -8.86 23.66 41.99 -9.88 3 0 -4.53 -999 ? O2 EDO A 402s >MET~A 136 28.17 41.03 -12.20 26.73 38.50 -11.02 27.45 39.77 -11.61 2 0 6.65 -999 ? O2 EDO A 402 >ALA~A 137 30.52 43.49 -13.92 30.51 43.83 -15.49 30.52 43.66 -14.70 2 0 9.63 -999 ? O1 SO4 A 301 >LEU~A 138 27.25 46.59 -12.21 25.93 48.31 -11.90 26.59 47.45 -12.06 3 0 10.20 -999 ? O2 EDO A 402 >LEU~A 139 28.63 43.20 -8.30 26.61 42.91 -7.44 27.62 43.06 -7.87 3 0 5.74 -999 ? O2 EDO A 402 >TRP~A 140 31.92 40.76 -9.34 32.72 38.16 -12.30 32.32 39.46 -10.82 3 0 7.26 -999 ? C11 CPS A 200 >ARG~A 141 32.46 48.67 -13.83 30.83 48.71 -16.52 31.65 48.69 -15.17 2 0 13.09 -999 ? O2 SO4 A 301 >SER~A 142 32.64 48.08 -6.97 30.70 49.54 -7.39 31.67 48.81 -7.18 2 0 12.13 -999 ? O2 EDO A 402 >ASP~A 143 33.35 43.74 -5.18 34.13 42.28 -3.74 33.74 43.01 -4.46 2 0 10.09 -999 ? O2 EDO A 404 >PRO.A 144 37.70 47.17 -4.13 37.37 45.27 -5.06 37.53 46.22 -4.60 3 0 14.44 -999 ? O2 EDO A 404 >MET~A 145 38.19 41.69 -3.73 41.03 41.91 -2.08 39.61 41.80 -2.91 2 0 11.53 -999 ? O2 EDO A 404 >TYR~A 146 35.87 40.78 -8.68 37.38 41.21 -10.96 36.62 41.00 -9.82 3 0 8.07 -999 ? C11 CPS A 200 >HIS~A 147 40.36 38.32 -6.90 41.51 39.29 -5.49 40.93 38.80 -6.20 3 0 9.31 -999 ? C12 CPS A 200 >SER~A 148 38.23 35.99 -3.85 37.69 37.74 -2.25 37.96 36.86 -3.05 2 0 -6.24 -999 ? O2 EDO A 404s >PHE~A 149 33.65 36.65 -2.50 33.77 37.97 -0.04 33.71 37.31 -1.27 3 0 -4.95 -999 ? O2 EDO A 404s >ILE~A 150 35.58 33.75 -8.66 35.46 34.33 -9.87 35.52 34.04 -9.27 3 0 4.71 -999 ? O1 EDO A 401s >ASP.A 151 34.81 28.13 -7.19 33.67 27.99 -5.22 34.24 28.06 -6.21 2 0 3.90 -999 ? O1 EDO A 404s >PRO.A 152 39.20 26.65 -6.90 38.15 27.92 -8.64 38.67 27.28 -7.77 3 0 -5.26 -999 ? O1 EDO A 404s >ILE.A 153 39.31 24.72 -12.79 38.64 25.40 -13.84 38.97 25.06 -13.31 3 0 4.90 -999 ? C21 CPS A 200s >PHE.A 154 35.17 22.10 -8.77 34.62 23.31 -6.12 34.89 22.70 -7.44 3 0 6.06 -999 ? O2 EDO A 401 >PRO.A 155 38.89 17.89 -9.68 37.76 18.91 -11.53 38.33 18.40 -10.61 3 0 9.38 -999 ? O2 EDO A 401 >GLU.A 156 35.18 15.83 -16.79 33.86 17.41 -17.29 34.52 16.62 -17.04 2 0 4.72 -999 ? C26 CPS A 200