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 mMETA 30 47.87 16.55 8.64 47.74 17.53 8.78 46.80 14.28 8.73 45.97 14.68 9.54 48.06 15.09 8.44 49.32 14.53 9.14 2 0 6.99-999 ?-999 ?-999 ? O3 SO4 A 106 mPRO~A 31 46.63 13.17 8.00 47.37 12.98 7.36 45.33 11.78 9.55 46.35 11.48 10.20 45.46 12.30 8.12 45.79 11.16 7.15 3 0 6.35-999 ?-999 ?-999 ? O1 GOL A 202 mARG~A 32 44.09 11.67 10.02 43.38 11.89 9.35 44.47 9.94 11.77 45.04 9.83 12.85 43.78 11.25 11.40 42.25 11.12 11.61 2 0 -5.69-999 ?-999 ?-999 ? O1 GOL A 202s mILE~A 33 44.44 8.97 10.86 44.01 9.24 9.99 46.49 7.73 11.48 46.97 6.99 12.34 44.99 7.63 11.14 44.74 6.55 10.04 3 0 7.73-999 ?-999 ?-999 ? O1 GOL A 202 mLYS~A 34 47.21 8.62 10.78 46.67 9.15 10.12 48.93 9.44 12.34 49.86 9.03 13.04 48.65 8.80 10.98 49.26 9.66 9.87 2 0 -7.32-999 ?-999 ?-999 ? O2 SO4 A 101s mILE~A 35 48.13 10.45 12.70 47.55 10.78 11.96 47.92 9.98 15.16 48.68 9.90 16.13 48.12 11.02 14.07 47.08 12.16 14.23 3 0 9.21-999 ?-999 ?-999 ? O3 SO4 A 106 mILE~A 36 46.86 9.19 15.00 46.35 9.35 14.15 47.63 7.16 16.08 48.06 6.85 17.17 46.50 8.19 15.98 45.16 7.47 15.56 3 0 10.50-999 ?-999 ?-999 ? O4 SO4 A 101 mARG~A 37 48.09 6.62 14.94 47.67 6.97 14.10 50.44 6.10 15.64 51.03 5.42 16.48 49.15 5.60 14.97 49.46 5.11 13.54 2 0 -7.73-999 ?-999 ?-999 ? O4 SO4 A 101s mARG~A 38 50.90 7.28 15.24 50.38 7.71 14.50 51.87 8.16 17.35 52.79 8.02 18.18 52.08 7.86 15.88 52.53 9.11 15.15 2 0 5.51-999 ?-999 ?-999 ? O4 SO4 A 101s mALA~A 39 50.65 8.52 17.73 49.96 8.57 17.00 50.45 7.55 20.01 50.77 7.62 21.21 50.42 8.81 19.14 49.15 9.58 19.34 2 0 9.09-999 ?-999 ?-999 ? O4 SO4 A 101 mLEU~A 40 50.13 6.42 19.38 49.83 6.56 18.43 51.61 4.47 19.88 51.82 3.37 20.39 50.22 5.11 20.00 49.17 4.17 19.39 3 0 6.43-999 ?-999 ?-999 ? O2 SO4 A 107 mLYS.A 41 52.54 5.14 19.18 52.20 6.01 18.82 53.96 3.29 18.27 54.74 2.41 18.65 53.91 4.65 18.98 54.69 4.60 20.31 2 0 -6.70-999 ?-999 ?-999 ? O2 SO4 A 107s mLEU.A 42 53.12 3.13 17.25 52.54 3.92 17.06 53.60 2.15 15.10 53.34 3.20 14.50 53.07 1.90 16.48 51.64 1.35 16.40 3 0 6.53-999 ?-999 ?-999 ? O2 SO4 A 107 mTHR~A 43 54.34 1.19 14.56 54.61 0.45 15.19 53.48 0.97 12.30 52.43 0.53 12.81 54.72 1.25 13.16 55.80 0.20 12.81 2 0 4.51-999 ?-999 ?-999 ? O3 SO4 A 101 mGLN~A 44 53.58 1.21 11.00 54.46 1.61 10.72 52.09 -0.58 10.16 50.90 -0.92 10.21 52.47 0.91 10.10 52.78 1.33 8.66 2 0 5.91-999 ?-999 ?-999 ? O3 SO4 A 101 mGLU~A 45 53.10 -1.44 10.18 54.01 -1.04 10.18 52.19 -3.31 11.52 51.27 -4.13 11.50 52.82 -2.87 10.19 54.04 -3.73 9.75 2 0 -7.53-999 ?-999 ?-999 ? O1 GOL A 201s mGLU~A 46 52.62 -2.76 12.65 53.39 -2.13 12.53 50.54 -2.61 14.01 49.68 -3.35 14.49 52.01 -3.05 13.94 52.81 -2.41 15.08 2 0 4.00-999 ?-999 ?-999 ? O1 GOL A 201 mPHE~A 47 50.29 -1.38 13.55 51.09 -0.90 13.19 48.04 -1.63 12.66 46.92 -1.99 13.06 48.95 -0.81 13.57 48.98 0.69 13.16 3 0 6.43-999 ?-999 ?-999 ? O1 GOL A 201 mSER~A 48 48.52 -1.94 11.45 49.41 -1.53 11.25 47.40 -4.15 11.12 46.24 -4.54 11.03 47.81 -2.81 10.51 48.63 -3.00 9.21 2 0 8.11-999 ?-999 ?-999 ? O2 GOL A 201 mALA~A 49 48.33 -4.83 11.79 49.22 -4.37 11.85 47.15 -6.01 13.62 46.22 -6.80 13.80 48.04 -6.14 12.37 49.34 -6.90 12.73 2 0 4.91-999 ?-999 ?-999 ? O2 GOL A 201 mARG~A 50 47.41 -5.02 14.46 48.16 -4.42 14.18 45.15 -4.51 15.43 44.24 -5.02 16.11 46.63 -4.87 15.70 47.28 -3.83 16.60 2 0 4.19-999 ?-999 ?-999 ? O2 GOL A 201s mTYR~A 51 44.92 -3.68 14.42 45.74 -3.45 13.89 42.90 -3.66 12.88 41.82 -3.19 12.53 43.58 -3.15 14.15 43.59 -1.60 14.21 3 0 7.59-999 ?-999 ?-999 ? O3 GOL A 201 mHIS~A 52 43.52 -4.66 12.23 44.40 -4.90 12.63 42.64 -4.38 9.90 41.57 -4.44 9.29 42.96 -5.34 11.05 41.74 -6.19 11.43 3 0 -9.05-999 ?-999 ?-999 ? O2 GOL A 201s mILE.A 53 43.58 -3.48 9.63 44.34 -3.48 10.28 44.59 -2.99 7.50 45.75 -2.95 7.85 43.47 -2.59 8.47 43.61 -1.13 8.87 3 0 11.48-999 ?-999 ?-999 ? O2 GOL A 201 mPRO~A 54 44.22 -3.41 6.29 43.24 -3.35 6.10 46.31 -2.82 5.13 46.01 -1.63 5.15 45.25 -3.91 5.34 44.45 -4.19 4.05 3 0 12.79-999 ?-999 ?-999 ? O2 GOL A 201 mLEU~A 55 47.56 -3.24 5.06 47.66 -4.23 4.95 48.72 -1.30 3.98 49.07 -0.17 4.20 48.69 -2.33 5.14 49.97 -3.15 5.14 3 0 11.23-999 ?-999 ?-999 ? O3 SO4 A 102 mGLY~A 56 48.39 -1.74 2.76 48.15 -2.70 2.72 47.35 0.25 1.77 47.64 1.41 1.56 48.39 -0.84 1.61-999.99-999.99-999.99 1 0 8.64-999 ?-999 ?-999 ? O3 SO4 A 102 mTHR~A 57 46.14 -0.12 2.18 46.05 -1.11 2.22 45.50 1.88 3.57 45.26 3.08 3.44 45.06 0.83 2.54 43.81 0.06 3.12 2 0 9.77-999 ?-999 ?-999 ? O3 SO4 A 103 mLEU~A 58 46.09 1.38 4.66 46.13 0.38 4.67 47.57 3.25 5.09 47.47 4.45 5.34 46.61 2.23 5.73 47.34 1.39 6.80 3 0 11.18-999 ?-999 ?-999 ? O2 SO4 A 101 mARG~A 59 48.50 2.76 4.26 48.46 1.77 4.12 48.78 4.64 2.70 49.15 5.82 2.69 49.48 3.63 3.63 50.55 2.81 2.87 2 0 -7.62-999 ?-999 ?-999 ? O3 SO4 A 102s mASP~A 60 47.76 4.19 1.96 47.57 3.21 2.04 46.40 6.25 1.96 46.45 7.41 1.56 47.02 5.13 1.11 45.90 4.47 0.31 2 0 8.23-999 ?-999 ?-999 ? O3 SO4 A 102 mTRP~A 61 45.78 5.89 3.07 45.80 4.91 3.27 46.18 7.89 4.47 45.96 9.11 4.43 45.13 6.88 3.92 44.33 6.24 5.06 3 0 7.93-999 ?-999 ?-999 ? O3 SO4 A 103 mGLU~A 62 47.32 7.36 4.93 47.37 6.36 4.84 49.05 9.13 4.51 49.45 10.25 4.87 48.38 8.20 5.53 49.41 7.33 6.27 2 0 8.65-999 ?-999 ?-999 ? O1 SO4 A 106 mGLN~A 63 49.11 8.69 3.26 48.72 7.78 3.12 48.72 10.39 1.45 49.11 11.10 0.52 49.71 9.49 2.20 50.49 8.60 1.23 2 0 8.46-999 ?-999 ?-999 ? O3 SO4 A 102 mGLY.A 64 47.44 10.36 1.82 47.25 9.78 2.62 46.11 10.57 -0.29 45.58 11.30 -1.11 46.44 11.13 1.10-999.99-999.99-999.99 1 0 8.33-999 ?-999 ?-999 ? O4 SO4 A 103 mARG.A 65 46.38 9.29 -0.53 46.80 8.79 0.22 44.62 8.25 -1.92 44.09 8.05 -3.01 46.06 8.69 -1.84 46.99 7.53 -2.13 2 0 -6.73-999 ?-999 ?-999 ? O1 SO4 A 103s mSER.A 66 44.00 8.10 -0.77 44.58 8.19 0.04 42.16 8.20 0.72 43.01 8.51 1.55 42.57 7.81 -0.71 42.28 6.32 -0.98 2 0 -3.41-999 ?-999 ?-999 ? O3 SO4 A 103s mGLU.A 67 40.86 8.11 1.01 40.29 7.82 0.25 39.47 7.31 2.86 38.77 6.69 2.06 40.37 8.44 2.35 39.55 9.72 2.31 2 0 -3.91-999 ?-999 ?-999 ? O3 SO4 A 103s mPRO.A 68 39.49 7.07 4.18 40.15 7.64 4.68 37.14 6.36 4.51 36.75 7.53 4.55 38.62 6.05 4.81 38.92 6.20 6.32 3 0 6.36-999 ?-999 ?-999 ? O3 SO4 A 103 mASP~A 69 36.35 5.33 4.23 36.86 4.47 4.14 34.21 5.60 5.45 34.90 5.68 6.47 34.89 5.43 4.07 34.31 4.22 3.27 2 0 -7.26-999 ?-999 ?-999 ? O3 SO4 A 103s mGLN~A 70 32.89 5.68 5.48 32.44 5.46 4.61 32.40 5.09 7.87 32.77 5.53 8.99 32.20 6.09 6.72 30.72 6.50 6.52 2 0 -5.31-999 ?-999 ?-999 ? O1 SO4 A 104s mPRO~A 71 32.20 3.76 7.60 31.91 3.53 6.67 33.88 2.83 9.17 34.13 2.72 10.35 32.44 2.78 8.70 32.12 1.41 8.04 3 0 7.79-999 ?-999 ?-999 ? O1 SO4 A 104 mALA~A 72 34.83 2.99 8.24 34.51 3.03 7.30 36.56 4.33 9.52 37.36 4.23 10.47 36.25 3.11 8.66 37.17 3.05 7.41 2 0 8.49-999 ?-999 ?-999 ? O1 SO4 A 104 mARG~A 73 35.97 5.49 9.20 35.40 5.48 8.38 35.61 6.46 11.41 36.24 6.88 12.41 36.16 6.67 10.02 35.51 7.94 9.42 2 0 4.83-999 ?-999 ?-999 ? O3 GOL A 202s mALA~A 74 34.42 5.84 11.48 34.02 5.60 10.60 34.72 4.61 13.58 34.97 4.83 14.76 33.79 5.54 12.78 32.43 4.91 12.57 2 0 6.08-999 ?-999 ?-999 ? O1 SO4 A 104 mTYR~A 75 35.24 3.60 12.90 34.95 3.56 11.94 37.43 3.31 14.09 37.87 3.01 15.19 36.17 2.63 13.53 36.52 1.54 12.49 3 0 9.04-999 ?-999 ?-999 ? O3 GOL A 202 mLEU~A 76 38.03 4.20 13.30 37.60 4.28 12.40 38.92 5.84 14.92 39.78 6.01 15.78 39.20 4.98 13.72 39.70 5.89 12.57 3 0 7.29-999 ?-999 ?-999 ? O3 GOL A 202 mLYS~A 77 37.71 6.39 14.99 37.13 6.27 14.19 37.27 6.21 17.44 37.69 6.61 18.54 37.32 7.11 16.20 36.00 7.85 15.98 2 0 6.61-999 ?-999 ?-999 ? O3 GOL A 202 mILE~A 78 36.81 4.96 17.29 36.51 4.72 16.36 38.15 3.68 18.87 38.43 3.62 20.08 36.76 4.05 18.43 35.98 2.72 18.14 3 0 10.30-999 ?-999 ?-999 ? O3 GOL A 202 mILE~A 79 39.02 3.41 17.90 38.63 3.43 16.99 41.03 4.28 19.01 41.65 4.07 20.06 40.43 3.12 18.20 41.27 2.90 16.90 3 0 11.45-999 ?-999 ?-999 ? O3 GOL A 202 mALA~A 80 40.84 5.50 18.52 40.35 5.52 17.65 40.80 6.82 20.67 41.57 7.14 21.60 41.32 6.70 19.23 40.97 7.95 18.43 2 0 10.39-999 ?-999 ?-999 ? O3 GOL A 202 mVAL~A 81 39.51 6.55 20.88 39.00 6.29 20.06 39.40 5.53 23.13 39.62 5.75 24.32 38.90 6.65 22.22 37.34 6.71 22.17 3 0 12.21-999 ?-999 ?-999 ? O3 GOL A 202 mASP~A 82 39.57 4.33 22.59 39.39 4.30 21.60 40.87 2.20 22.62 40.41 1.15 22.16 39.97 3.17 23.38 38.77 2.40 23.91 2 0 12.37-999 ?-999 ?-999 ? O2 SO4 A 107 mPRO~A 83 42.17 2.55 22.50 42.42 3.37 23.02 43.35 0.39 22.24 43.42 -0.58 21.48 43.12 1.78 21.69 44.41 2.62 21.78 3 0 8.93-999 ?-999 ?-999 ? O2 SO4 A 107 mGLU~A 84 43.43 0.29 23.57 43.31 1.17 24.04 42.44 -1.86 24.24 42.54 -3.04 23.93 43.68 -0.96 24.26 44.08 -0.68 25.72 2 0 8.04-999 ?-999 ?-999 ? O3 SO4 A 107 mGLY~A 85 41.29 -1.29 24.60 41.37 -0.32 24.85 39.75 -2.57 23.21 39.36 -3.73 23.05 40.04 -2.06 24.60-999.99-999.99-999.99 1 0 10.90-999 ?-999 ?-999 ? O3 GOL A 201 mTHR~A 86 39.98 -1.72 22.20 40.32 -0.83 22.48 40.66 -3.26 20.40 40.20 -4.25 19.84 39.73 -2.10 20.82 39.83 -0.88 19.85 2 0 9.73-999 ?-999 ?-999 ? O3 GOL A 201 mALA~A 87 41.95 -3.11 20.68 42.17 -2.26 21.15 42.62 -5.45 21.02 42.70 -6.50 20.39 42.94 -4.12 20.34 44.34 -3.64 20.72 2 0 5.93-999 ?-999 ?-999 ? O3 GOL A 201 mALA~A 88 42.24 -5.40 22.30 42.20 -4.46 22.66 40.66 -7.31 22.55 40.63 -8.54 22.46 41.90 -6.60 23.09 41.73 -6.24 24.56 2 0 7.22-999 ?-999 ?-999 ? O3 GOL A 201 mALA~A 89 39.66 -6.53 22.16 39.82 -5.55 22.30 38.67 -7.87 20.30 37.96 -8.83 20.00 38.42 -7.08 21.58 37.41 -5.98 21.34 2 0 9.73-999 ?-999 ?-999 ? O3 GOL A 201 mLEU~A 90 39.69 -7.47 19.53 40.19 -6.68 19.89 40.85 -9.41 18.46 40.96 -10.21 17.51 40.01 -8.15 18.28 40.70 -7.18 17.30 3 0 7.85-999 ?-999 ?-999 ? O3 GOL A 201 mARG~A 91 41.44 -9.58 19.65 41.35 -8.78 20.24 41.22 -11.75 20.83 40.47 -12.53 20.23 42.14 -10.81 20.06 43.34 -10.49 20.96 2 0 -6.77-999 ?-999 ?-999 ? O3 GOL A 201s