REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-07 2PPX COMPND UNCHARACTERIZED PROTEIN ATU1735; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: AGR_C_3184P; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58; SOURCE 5 ATCC: 33970; SOURCE 6 GENE: ATU1735, AGR_C_3184; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: MODIFIED BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MODIFIED P11 AUTHOR M.E.CUFF,T.SKARINA,O.ONOPRIYENKO,A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 30 8 HET SO4 A 101 5 HET SO4 A 102 5 HET SO4 A 103 5 HET SO4 A 104 5 HET SO4 A 106 5 HET SO4 A 107 5 HET GOL A 201 6 HET GOL A 202 6 SITE 1 AC1 5 ARG A 37 ARG A 38 LYS A 41 HOH A 228 SITE 1 AC2 4 GLU A 45 ARG A 59 ARG A 65 HOH A 205 SITE 1 AC3 7 SER A 66 GLU A 67 ASP A 69 ARG A 73 SITE 1 AC4 6 HIS A 52 GLN A 70 ARG A 73 HOH A 215 SITE 1 AC5 4 LYS A 34 ARG A 38 HOH A 252 HOH A 261 SITE 1 AC6 1 ARG A 50 SITE 1 AC7 2 ARG A 50 ARG A 91 SITE 1 AC8 6 ARG A 32 HOH A 212 HOH A 256 HOH A 257 >MET?A 30 48.06 15.09 8.44 50.87 13.47 11.42 49.47 14.28 9.93 2 0 5.08 -999 ? O3 SO4 A 106 >PRO~A 31 46.66 11.81 6.11 46.05 12.73 8.06 46.35 12.27 7.08 3 0 7.31 -999 ? O1 GOL A 202 >ARG~A 32 41.59 12.17 13.88 42.11 12.62 16.90 41.85 12.39 15.39 2 0 -7.74 -999 ? O2 GOL A 202s >ILE~A 33 44.74 6.55 10.04 45.05 5.48 9.20 44.89 6.02 9.62 3 0 8.22 -999 ? O1 GOL A 202 >LYS~A 34 48.65 8.80 10.98 53.21 11.28 7.43 50.93 10.04 9.21 2 0 -2.86 -999 ? O3 SO4 A 106s >ILE~A 35 47.08 12.16 14.23 46.76 13.60 14.44 46.92 12.88 14.34 3 0 9.58 -999 ? O2 GOL A 202 >ILE~A 36 45.16 7.47 15.56 43.83 7.09 15.66 44.49 7.28 15.61 3 0 9.86 -999 ? O3 GOL A 202 >ARG~A 37 50.85 3.57 12.09 53.19 5.40 11.18 52.02 4.49 11.64 2 0 -3.13 -999 ? O2 SO4 A 101s >ARG~A 38 53.76 9.99 13.18 55.32 10.88 10.68 54.54 10.44 11.93 2 0 3.06 -999 ? O4 SO4 A 106s >ALA~A 39 50.42 8.81 19.14 49.15 9.58 19.34 49.78 9.19 19.24 2 0 10.27 -999 ? O4 SO4 A 101 >LEU~A 40 49.17 4.17 19.39 47.05 4.19 19.92 48.11 4.18 19.65 3 0 6.61 -999 ? O2 SO4 A 107 >LYS.A 41 53.91 4.65 18.98 57.96 6.57 20.24 55.93 5.61 19.61 2 0 -7.96 -999 ? O4 SO4 A 101s >LEU.A 42 51.64 1.35 16.40 50.76 0.24 18.08 51.20 0.79 17.24 3 0 5.30 -999 ? O2 SO4 A 107 >THR~A 43 54.72 1.25 13.16 56.13 -0.40 13.32 55.42 0.43 13.24 2 0 5.74 -999 ? O3 SO4 A 101 >GLN~A 44 52.93 2.89 8.49 53.26 3.47 6.46 53.10 3.18 7.48 2 0 5.68 -999 ? O2 SO4 A 101 >GLU~A 45 54.37 -3.55 8.24 56.09 -4.60 7.55 55.23 -4.07 7.89 2 0 -10.36 -999 ? O3 SO4 A 101s >GLU~A 46 54.19 -3.03 15.26 55.42 -1.98 16.64 54.80 -2.50 15.95 2 0 5.00 -999 ? O1 GOL A 201 >PHE~A 47 47.68 1.44 13.45 45.29 2.79 13.98 46.48 2.12 13.72 3 0 9.74 -999 ? O1 GOL A 201 >SER~A 48 47.81 -2.81 10.51 48.04 -4.00 8.37 47.93 -3.40 9.44 2 0 9.29 -999 ? O2 GOL A 201 >ALA~A 49 48.04 -6.14 12.37 49.34 -6.90 12.73 48.69 -6.52 12.55 2 0 4.13 -999 ? O2 GOL A 201 >ARG~A 50 47.52 -2.86 18.87 50.19 -2.78 20.40 48.85 -2.82 19.63 2 0 3.13 -999 ? O3 SO4 A 107s >TYR~A 51 43.96 -1.14 15.60 44.66 -0.34 18.20 44.31 -0.74 16.90 3 0 7.66 -999 ? O3 GOL A 201 >HIS~A 52 42.04 -7.21 12.49 42.36 -8.79 13.84 42.20 -8.00 13.17 3 0 -8.08 -999 ? O3 GOL A 201s >ILE.A 53 43.61 -1.13 8.87 43.19 0.16 9.11 43.40 -0.49 8.99 3 0 12.25 -999 ? O2 GOL A 201 >PRO~A 54 43.03 -4.37 4.52 44.74 -3.66 5.81 43.88 -4.02 5.17 3 0 13.44 -999 ? O2 GOL A 201 >LEU~A 55 49.97 -3.15 5.14 51.89 -2.51 5.89 50.93 -2.83 5.52 3 0 10.83 -999 ? O3 SO4 A 102 >GLY~A 56 48.39 -0.84 1.61 47.87 -0.74 2.27 48.13 -0.79 1.94 1 0 8.64 -999 ? O3 SO4 A 102 >THR~A 57 45.06 0.83 2.54 42.98 0.18 2.91 44.02 0.50 2.72 2 0 9.37 -999 ? O3 SO4 A 103 >LEU~A 58 47.34 1.39 6.80 48.70 1.89 8.45 48.02 1.64 7.63 3 0 9.70 -999 ? O2 SO4 A 101 >ARG~A 59 52.36 1.07 3.18 54.41 -1.10 3.89 53.39 -0.02 3.54 2 0 -7.86 -999 ? O3 SO4 A 102s >ASP~A 60 45.90 4.47 0.31 46.55 3.37 -1.37 46.22 3.92 -0.53 2 0 8.02 -999 ? O3 SO4 A 102 >TRP~A 61 42.61 5.28 3.37 41.15 2.99 6.23 41.88 4.13 4.80 3 0 7.54 -999 ? O3 SO4 A 103 >GLU~A 62 48.83 6.71 7.54 50.35 5.94 8.83 49.59 6.33 8.18 2 0 5.61 -999 ? O2 SO4 A 101 >GLN~A 63 51.63 7.88 1.94 52.76 6.63 0.66 52.20 7.26 1.30 2 0 4.18 -999 ? O3 SO4 A 102 >GLY.A 64 46.44 11.13 1.10 46.78 10.47 0.77 46.61 10.80 0.93 1 0 8.33 -999 ? O4 SO4 A 103 >ARG.A 65 49.16 6.99 -3.02 52.05 6.19 -2.50 50.60 6.59 -2.76 2 0 -3.32 -999 ? O3 SO4 A 102s >SER.A 66 42.57 7.81 -0.71 42.82 5.58 0.10 42.70 6.69 -0.30 2 0 -4.38 -999 ? O3 SO4 A 103s >GLU.A 67 40.43 10.95 2.08 39.35 12.76 2.01 39.89 11.86 2.04 2 0 -4.49 -999 ? O4 SO4 A 103s >PRO.A 68 39.64 7.58 6.45 39.06 6.56 4.49 39.35 7.07 5.47 3 0 5.34 -999 ? O1 GOL A 202 >ASP~A 69 34.31 4.22 3.27 34.39 2.30 4.33 34.35 3.26 3.80 2 0 -9.16 -999 ? O3 SO4 A 103s >GLN~A 70 30.14 7.23 7.76 28.02 7.72 7.79 29.08 7.47 7.77 2 0 -3.68 -999 ? O3 SO4 A 104s >PRO~A 71 31.20 1.76 6.92 32.32 3.27 8.15 31.76 2.51 7.53 3 0 8.26 -999 ? O3 SO4 A 104 >ALA~A 72 36.25 3.11 8.66 37.17 3.05 7.41 36.71 3.08 8.04 2 0 8.89 -999 ? O1 GOL A 202 >ARG~A 73 35.73 9.74 7.69 33.34 9.50 5.68 34.53 9.62 6.69 2 0 3.84 -999 ? O2 SO4 A 104s >ALA~A 74 33.79 5.54 12.78 32.43 4.91 12.57 33.11 5.23 12.68 2 0 6.31 -999 ? O1 SO4 A 104 >TYR~A 75 37.47 0.47 13.02 39.21 -1.49 13.94 38.34 -0.51 13.48 3 0 12.19 -999 ? O3 GOL A 202 >LEU~A 76 39.70 5.89 12.57 41.16 5.13 11.11 40.43 5.51 11.84 3 0 6.96 -999 ? O3 GOL A 202 >LYS~A 77 37.32 7.11 16.20 33.52 11.30 18.37 35.42 9.20 17.28 2 0 7.88 -999 ? O3 GOL A 202 >ILE~A 78 35.98 2.72 18.14 34.82 2.92 18.89 35.40 2.82 18.52 3 0 11.33 -999 ? O3 GOL A 202 >ILE~A 79 41.27 2.90 16.90 42.10 2.17 16.00 41.68 2.53 16.45 3 0 11.42 -999 ? O3 GOL A 202 >ALA~A 80 41.32 6.70 19.23 40.97 7.95 18.43 41.14 7.33 18.83 2 0 9.09 -999 ? O3 GOL A 202 >VAL~A 81 38.90 6.65 22.22 36.80 7.31 22.51 37.85 6.98 22.36 3 0 12.08 -999 ? O3 GOL A 202 >ASP~A 82 38.77 2.40 23.91 39.32 0.96 25.40 39.04 1.68 24.66 2 0 12.84 -999 ? O2 SO4 A 107 >PRO~A 83 44.02 3.91 22.37 42.64 2.16 22.10 43.33 3.04 22.23 3 0 9.14 -999 ? O2 SO4 A 107 >GLU~A 84 44.99 0.55 25.91 44.00 2.44 25.64 44.49 1.49 25.78 2 0 8.94 -999 ? O2 SO4 A 107 >GLY~A 85 40.04 -2.06 24.60 40.52 -1.93 23.90 40.28 -1.99 24.25 1 0 10.90 -999 ? O3 GOL A 201 >THR~A 86 39.73 -2.10 20.82 39.19 -0.60 19.34 39.46 -1.35 20.08 2 0 10.87 -999 ? O3 GOL A 201 >ALA~A 87 42.94 -4.12 20.34 44.34 -3.64 20.72 43.64 -3.88 20.53 2 0 5.30 -999 ? O3 GOL A 201 >ALA~A 88 41.90 -6.60 23.09 41.73 -6.24 24.56 41.82 -6.42 23.83 2 0 8.32 -999 ? O3 GOL A 201 >ALA~A 89 38.42 -7.08 21.58 37.41 -5.98 21.34 37.92 -6.53 21.46 2 0 10.73 -999 ? O3 GOL A 201 >LEU~A 90 40.70 -7.18 17.30 39.70 -5.75 16.01 40.20 -6.47 16.65 3 0 7.97 -999 ? O3 GOL A 201 >ARG~A 91 45.68 -9.66 21.25 46.09 -6.81 22.40 45.88 -8.24 21.83 2 0 -3.87 -999 ? O3 GOL A 201s