HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-NOV-04 1Y0N COMPND HYPOTHETICAL UPF0270 PROTEIN PA3463; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 208964; SOURCE 4 STRAIN: PAO1; SOURCE 5 GENE: PA3463; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR T.A.BINKOWSKI,A.EDWARDS,A.SAVCHENKO,T.SKARINA,E.GORODICHTCHENSKAIA, AUTHOR 2 A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET GOL A 101 6 HET GOL A 104 6 HET GOL A 102 6 HET GOL A 103 6 SITE 1 AC1 6 ILE A 3 PRO A 4 HIS A 5 VAL A 51 SITE 1 AC2 5 GLU A 49 SER A 67 GOL A 102 HOH A 116 SITE 1 AC3 5 GLU A 49 ARG A 66 SER A 67 GOL A 104 SITE 1 AC4 6 HIS A 43 ARG A 47 PRO A 70 ALA A 71 mGLY.A -1 -21.94 -22.96 -6.91 -21.66 -22.02 -7.12 -22.26 -25.36 -7.75 -23.04 -25.28 -8.73 -22.36 -24.37 -6.60-999.99-999.99-999.99 1 0 12.79-999 ?-999 ?-999 ? O2 GOL A 101 mHIS.A 0 -21.35 -26.32 -7.65 -21.46 -27.05 -8.32 -20.68 -26.82 -5.28 -21.44 -26.18 -4.57 -20.28 -26.32 -6.65 -19.56 -24.99 -6.59 3 0 10.64-999 ?-999 ?-999 ? O2 GOL A 101 mMET^A 1 -20.17 -28.00 -4.93 -19.66 -28.44 -5.67 -18.94 -28.77 -2.95 -17.93 -28.85 -3.64 -20.31 -28.59 -3.60 -21.02 -29.94 -3.70 2 0 8.07-999 ?-999 ?-999 ? O2 GOL A 101 mLEU^A 2 -18.92 -28.85 -1.63 -19.79 -28.65 -1.19 -17.44 -30.68 -0.89 -18.35 -31.47 -0.70 -17.71 -29.19 -0.90 -17.82 -28.70 0.54 3 0 4.46-999 ?-999 ?-999 ? O2 GOL A 101 mILE.A 3 -16.18 -31.05 -1.09 -15.58 -30.30 -1.33 -14.50 -32.54 -0.02 -13.50 -31.80 -0.20 -15.73 -32.43 -0.95 -15.46 -33.13 -2.31 3 0 -3.37-999 ?-999 ?-999 ? O2 GOL A 101s mPRO~A 4 -14.57 -33.41 1.00 -15.40 -33.97 1.06 -12.16 -33.89 1.20 -12.19 -34.80 0.39 -13.44 -33.47 1.93 -13.89 -34.51 2.98 3 0 -3.41-999 ?-999 ?-999 ? O2 GOL A 101s mHIS~A 5 -11.04 -33.23 1.53 -11.17 -32.55 2.25 -9.29 -34.97 0.95 -8.68 -35.48 0.00 -9.74 -33.50 0.88 -8.63 -32.57 1.46 3 0 -3.85-999 ?-999 ?-999 ? O3 GOL A 101s mASP~A 6 -9.64 -35.63 2.06 -10.17 -35.08 2.70 -10.07 -38.03 1.49 -9.74 -39.21 1.43 -9.26 -37.03 2.32 -9.37 -37.37 3.81 2 0 6.69-999 ?-999 ?-999 ? O3 GOL A 101 mLEU~A 7 -11.08 -37.53 0.79 -11.26 -36.56 0.97 -11.15 -38.32 -1.52 -11.46 -39.15 -2.36 -11.84 -38.34 -0.14 -13.28 -37.81 -0.23 3 0 8.23-999 ?-999 ?-999 ? O3 GOL A 101 mLEU~A 8 -10.19 -37.41 -1.71 -9.92 -36.91 -0.89 -8.47 -38.13 -3.41 -7.65 -38.56 -2.59 -9.59 -37.19 -3.04 -9.13 -35.75 -3.28 3 0 8.85-999 ?-999 ?-999 ? O2 GOL A 101 mGLU~A 9 -8.47 -38.44 -4.68 -9.29 -38.11 -5.16 -6.09 -38.40 -5.11 -6.06 -37.18 -5.32 -7.41 -39.19 -5.34 -7.82 -39.30 -6.82 2 0 12.45-999 ?-999 ?-999 ? O2 GOL A 101 mALA~A 10 -5.03 -39.05 -4.64 -5.11 -40.05 -4.66 -3.20 -37.35 -5.19 -2.81 -36.22 -4.85 -3.84 -38.30 -4.17 -2.79 -39.25 -3.53 2 0 12.87-999 ?-999 ?-999 ? O3 GOL A 101 mASP~A 11 -3.15 -37.78 -6.45 -3.53 -38.69 -6.61 -3.43 -35.76 -7.88 -2.90 -34.70 -8.18 -2.57 -36.93 -7.50 -2.25 -37.72 -8.80 2 0 14.85-999 ?-999 ?-999 ? C3 GOL A 101 mTHR~A 12 -4.74 -35.96 -7.95 -5.09 -36.88 -7.81 -5.40 -33.83 -7.05 -5.28 -32.67 -7.29 -5.55 -34.81 -8.23 -7.08 -35.07 -8.68 2 0 12.80-999 ?-999 ?-999 ? C3 GOL A 101 mLEU~A 13 -5.36 -34.30 -5.80 -5.46 -35.30 -5.73 -3.84 -32.57 -4.77 -3.81 -31.38 -4.47 -5.15 -33.37 -4.66 -5.24 -34.07 -3.29 3 0 9.87-999 ?-999 ?-999 ? C3 GOL A 101 mASN~A 14 -2.77 -33.22 -5.22 -2.94 -34.18 -5.47 -1.46 -31.46 -6.33 -0.92 -30.39 -6.07 -1.44 -32.55 -5.34 -0.30 -33.54 -5.65 2 0 12.79-999 ?-999 ?-999 ? C3 GOL A 101 mASN~A 15 -2.10 -31.75 -7.47 -2.43 -32.70 -7.52 -3.18 -29.61 -8.07 -2.88 -28.48 -8.37 -2.31 -30.80 -8.55 -3.00 -31.46 -9.78 2 0 14.04-999 ?-999 ?-999 ? C3 GOL A 101 mLEU~A 16 -4.27 -29.89 -7.36 -4.45 -30.87 -7.28 -4.28 -27.91 -5.78 -4.42 -26.69 -5.77 -5.11 -28.80 -6.76 -6.34 -29.39 -6.01 3 0 10.90-999 ?-999 ?-999 ? C3 GOL A 101 mLEU~A 17 -3.43 -28.55 -4.95 -3.43 -29.55 -5.06 -1.61 -26.91 -4.69 -1.47 -25.75 -4.34 -2.60 -27.81 -3.99 -1.87 -28.78 -3.03 3 0 10.99-999 ?-999 ?-999 ? C3 GOL A 101 mGLU~A 18 -0.92 -27.45 -5.71 -1.11 -28.42 -5.85 -0.68 -25.55 -7.26 -0.17 -24.41 -7.21 0.01 -26.69 -6.54 0.78 -27.65 -7.49 2 0 14.74-999 ?-999 ?-999 ? C3 GOL A 101 mASP~A 19 -1.85 -25.80 -7.87 -2.12 -26.76 -7.87 -2.90 -23.60 -7.49 -2.67 -22.43 -7.78 -2.64 -24.71 -8.49 -4.00 -25.21 -9.02 2 0 14.69-999 ?-999 ?-999 ? C3 GOL A 101 mPHE~A 20 -3.33 -23.97 -6.30 -3.32 -24.97 -6.18 -2.62 -22.11 -4.88 -2.75 -20.89 -4.86 -3.77 -22.99 -5.28 -4.39 -23.76 -4.09 3 0 12.69-999 ?-999 ?-999 ? C3 GOL A 101 mVAL~A 21 -1.49 -22.70 -4.56 -1.48 -23.69 -4.70 0.35 -21.09 -5.13 1.17 -20.22 -4.83 -0.37 -21.89 -4.04 0.64 -22.71 -3.14 3 0 12.54-999 ?-999 ?-999 ? O3 GOL A 103 mTHR~A 22 0.02 -21.35 -6.39 -0.57 -22.15 -6.55 -0.59 -19.63 -8.06 -0.31 -18.90 -8.99 0.51 -20.48 -7.43 1.29 -21.24 -8.50 2 0 16.04-999 ?-999 ?-999 ? O3 GOL A 103 mARG~A 23 -1.80 -19.67 -7.49 -1.83 -20.24 -6.67 -2.77 -17.44 -8.27 -1.99 -16.80 -7.56 -2.98 -18.94 -8.03 -4.22 -19.13 -7.14 2 0 17.12-999 ?-999 ?-999 ? C3 GOL A 101 mGLU.A 31 12.19 -16.29 -1.92 13.13 -15.94 -1.84 10.70 -18.23 -1.41 11.56 -19.09 -1.58 10.82 -16.81 -2.04 10.40 -16.77 -3.52 2 0 15.62-999 ?-999 ?-999 ? O3 GOL A 103 mTHR.A 32 9.63 -18.47 -0.66 9.03 -17.68 -0.54 9.28 -20.86 -1.16 8.58 -20.66 -2.13 9.39 -19.79 -0.07 8.08 -19.75 0.73 2 0 12.17-999 ?-999 ?-999 ? O3 GOL A 103 mPRO~A 33 9.98 -22.00 -1.03 10.57 -22.06 -0.22 8.43 -23.57 -2.19 7.65 -23.56 -1.21 9.86 -23.07 -2.03 10.71 -24.22 -1.47 3 0 13.18-999 ?-999 ?-999 ? O3 GOL A 103 mLEU~A 34 8.13 -24.08 -3.39 8.88 -24.02 -4.04 6.31 -25.65 -2.71 5.14 -25.59 -2.29 6.82 -24.65 -3.72 6.86 -25.39 -5.05 3 0 12.98-999 ?-999 ?-999 ? O3 GOL A 103 mASP~A 35 7.16 -26.62 -2.39 8.06 -26.54 -2.82 6.43 -27.22 -0.08 5.53 -27.79 0.50 6.82 -27.68 -1.51 7.95 -28.74 -1.51 2 0 11.31-999 ?-999 ?-999 ? C3 GOL A 103 mVAL~A 36 7.13 -26.21 0.44 7.92 -25.93 -0.11 5.37 -24.91 1.63 4.54 -25.02 2.55 6.79 -25.58 1.70 7.85 -24.53 2.09 3 0 8.30-999 ?-999 ?-999 ? C3 GOL A 103 mARG~A 37 5.14 -24.19 0.57 5.92 -24.12 -0.06 2.73 -24.59 0.27 1.67 -24.38 0.81 3.84 -23.55 0.37 3.91 -22.66 -0.87 2 0 8.12-999 ?-999 ?-999 ? O3 GOL A 103 mVAL~A 38 3.00 -25.72 -0.41 3.91 -25.74 -0.82 1.77 -27.40 0.85 0.62 -27.70 1.18 2.06 -26.80 -0.54 2.53 -27.91 -1.60 3 0 9.07-999 ?-999 ?-999 ? O3 GOL A 103 mGLU~A 39 2.83 -27.59 1.66 3.72 -27.33 1.29 1.79 -27.20 3.89 1.00 -27.67 4.70 2.62 -28.15 3.00 3.97 -28.49 3.70 2 0 6.12-999 ?-999 ?-999 ? C3 GOL A 103 mARG~A 40 2.02 -25.91 3.76 2.77 -25.68 3.14 -0.23 -25.05 4.03 -1.14 -24.96 4.83 1.23 -24.92 4.47 1.67 -23.50 4.20 2 0 3.75-999 ?-999 ?-999 ? O3 GOL A 103 mALA~A 41 -0.46 -25.26 2.73 0.37 -25.31 2.17 -2.53 -26.74 2.73 -3.74 -26.80 2.97 -1.85 -25.42 2.23 -1.84 -25.29 0.69 2 0 6.91-999 ?-999 ?-999 ? O3 GOL A 103 mARG~A 42 -1.75 -27.81 2.84 -0.80 -27.67 2.54 -2.67 -28.95 4.80 -3.61 -29.61 5.21 -2.24 -29.07 3.33 -1.17 -30.17 3.31 2 0 7.57-999 ?-999 ?-999 ? C3 GOL A 103 mHIS~A 43 -1.89 -28.21 5.58 -1.08 -27.87 5.11 -3.56 -27.13 7.05 -4.42 -27.41 7.89 -2.24 -27.92 6.99 -1.13 -27.12 7.64 3 0 -5.11-999 ?-999 ?-999 ? C3 GOL A 103s mALA~A 44 -3.67 -26.13 6.18 -2.85 -26.01 5.62 -6.08 -26.18 5.73 -7.17 -26.00 6.32 -4.86 -25.28 6.07 -4.67 -24.22 5.02 2 0 6.83-999 ?-999 ?-999 ? O3 GOL A 103 mLEU~A 45 -5.88 -27.20 4.86 -4.96 -27.24 4.46 -7.34 -29.00 5.78 -8.58 -29.21 6.12 -6.98 -28.17 4.56 -6.59 -29.13 3.41 3 0 5.38-999 ?-999 ?-999 ? O3 GOL A 101 mARG~A 46 -6.29 -29.47 6.48 -5.40 -29.31 6.07 -7.22 -29.33 8.84 -8.01 -29.85 9.64 -6.50 -30.18 7.76 -5.20 -30.77 8.36 2 0 6.89-999 ?-999 ?-999 ? O3 GOL A 101 mARG~A 47 -6.92 -28.05 8.88 -6.24 -27.78 8.20 -9.00 -26.64 9.39 -9.71 -25.88 10.09 -7.59 -27.14 9.87 -6.68 -25.93 10.13 2 0 -7.38-999 ?-999 ?-999 ? O3 GOL A 104s mGLY.A 48 -9.38 -27.06 8.20 -8.76 -27.72 7.80 -10.63 -25.12 7.17 -11.71 -24.57 6.89 -10.61 -26.58 7.54-999.99-999.99-999.99 1 0 6.23-999 ?-999 ?-999 ? O3 GOL A 101 mGLU.A 49 -9.46 -24.48 7.09 -8.67 -25.05 7.33 -9.23 -22.87 5.19 -9.43 -21.78 4.72 -9.37 -23.07 6.70 -8.24 -22.38 7.50 2 0 4.19-999 ?-999 ?-999 ? O2 GOL A 102s mALA^A 50 -8.91 -23.97 4.47 -8.54 -24.69 5.05 -9.98 -25.31 2.83 -10.00 -26.18 3.68 -9.07 -24.13 2.99 -7.68 -24.42 2.29 2 0 6.40-999 ?-999 ?-999 ? C3 GOL A 101 mVAL^A 51 -10.79 -25.28 1.77 -10.69 -24.46 1.20 -11.62 -26.59 -0.06 -10.90 -25.86 -0.81 -11.73 -26.32 1.44 -13.23 -25.91 1.80 3 0 -3.43-999 ?-999 ?-999 ? C2 GOL A 101s mILE^A 52 -12.29 -27.67 -0.49 -12.75 -28.20 0.22 -13.75 -27.96 -2.40 -14.60 -28.64 -1.88 -12.32 -28.01 -1.90 -11.72 -29.39 -2.16 3 0 -3.73-999 ?-999 ?-999 ? O2 GOL A 101s mLEU^A 53 -13.96 -27.16 -3.42 -13.15 -26.62 -3.67 -15.24 -27.90 -5.38 -14.32 -27.88 -6.18 -15.22 -27.05 -4.10 -15.50 -25.59 -4.47 3 0 5.99-999 ?-999 ?-999 ? O2 GOL A 101 mPHE^A 54 -16.33 -28.62 -5.55 -17.00 -28.51 -4.81 -17.79 -29.11 -7.50 -18.83 -28.96 -6.89 -16.51 -29.47 -6.72 -16.67 -30.92 -6.27 3 0 7.97-999 ?-999 ?-999 ? O2 GOL A 101 mASP.A 55 -17.67 -28.98 -8.82 -16.73 -29.13 -9.14 -19.21 -29.93 -10.48 -18.48 -30.42 -11.30 -18.77 -28.66 -9.73 -18.30 -27.66 -10.78 2 0 11.71-999 ?-999 ?-999 ? O2 GOL A 101 mPRO.A 56 -20.39 -30.46 -10.15 -20.77 -29.98 -9.36 -20.92 -31.65 -12.31 -20.51 -32.69 -12.86 -21.10 -31.59 -10.80 -22.55 -31.31 -10.44 3 0 13.73-999 ?-999 ?-999 ? O2 GOL A 101 mGLU.A 57 -21.25 -30.55 -12.97 -21.66 -29.85 -12.38 -19.73 -29.60 -14.57 -19.47 -28.67 -13.83 -21.03 -30.37 -14.40 -22.19 -29.56 -15.01 2 0 16.79-999 ?-999 ?-999 ? O2 GOL A 101 mSER.A 58 -18.95 -29.96 -15.57 -19.42 -30.52 -16.25 -16.74 -30.58 -14.89 -15.60 -30.83 -15.24 -17.54 -29.57 -15.66 -17.26 -28.14 -15.18 2 0 16.82-999 ?-999 ?-999 ? O2 GOL A 101 mGLN.A 59 -17.36 -31.20 -13.87 -18.32 -30.94 -13.80 -15.40 -31.63 -12.36 -14.60 -32.39 -11.83 -16.70 -32.15 -12.96 -16.48 -33.53 -13.62 2 0 14.10-999 ?-999 ?-999 ? O2 GOL A 101 mGLN.A 60 -15.21 -30.31 -12.42 -16.00 -29.81 -12.77 -13.93 -29.33 -10.48 -14.94 -29.06 -9.87 -13.97 -29.67 -12.01 -13.77 -28.41 -12.85 2 0 12.72-999 ?-999 ?-999 ? O2 GOL A 101 mCYH^A 61 -12.73 -29.39 -9.92 -12.01 -29.66 -10.56 -11.63 -27.86 -8.41 -10.83 -27.52 -9.32 -12.45 -29.11 -8.51 -11.62 -30.24 -7.84 2 0 9.37-999 ?-999 ?-999 ? O2 GOL A 101 mGLN^A 62 -11.77 -27.18 -7.28 -12.55 -27.46 -6.71 -10.63 -25.95 -5.41 -11.56 -25.99 -4.64 -10.83 -26.13 -6.95 -11.30 -24.80 -7.58 2 0 9.17-999 ?-999 ?-999 ? O2 GOL A 101 mLEU^A 63 -9.37 -25.76 -5.01 -8.68 -25.84 -5.73 -9.28 -23.95 -3.44 -8.90 -23.17 -4.31 -9.04 -25.45 -3.65 -7.57 -25.72 -3.38 3 0 7.55-999 ?-999 ?-999 ? C3 GOL A 101 mMET^A 64 -9.95 -23.60 -2.34 -10.24 -24.38 -1.78 -10.07 -21.98 -0.48 -10.32 -22.87 0.32 -10.24 -22.19 -1.99 -11.69 -21.81 -2.45 2 0 8.60-999 ?-999 ?-999 ? C2 GOL A 101 mLEU^A 65 -9.68 -20.78 -0.08 -9.33 -20.20 -0.81 -11.25 -20.30 1.73 -12.06 -19.77 0.99 -9.75 -20.39 1.33 -9.11 -19.00 1.57 3 0 6.64-999 ?-999 ?-999 ? O1 GOL A 102 mARG.A 66 -11.59 -20.92 2.83 -10.82 -21.44 3.21 -13.47 -19.38 3.41 -14.63 -19.15 3.16 -12.97 -20.83 3.41 -12.95 -21.34 4.87 2 0 -4.39-999 ?-999 ?-999 ? O1 GOL A 102s mSER~A 67 -12.57 -18.43 3.72 -11.67 -18.81 3.91 -13.28 -16.37 2.45 -13.98 -15.36 2.42 -12.86 -16.99 3.79 -11.69 -16.24 4.39 2 0 3.55-999 ?-999 ?-999 ? O1 GOL A 102s mGLU~A 68 -12.89 -17.00 1.34 -12.31 -17.80 1.52 -14.54 -17.23 -0.60 -15.03 -16.88 -1.70 -13.29 -16.56 0.00 -12.04 -16.64 -0.91 2 0 7.32-999 ?-999 ?-999 ? O1 GOL A 102 mVAL~A 69 -15.07 -18.18 0.16 -14.58 -18.35 1.01 -17.53 -18.22 0.28 -17.62 -17.90 1.47 -16.24 -18.92 -0.24 -16.16 -20.41 0.21 3 0 8.19-999 ?-999 ?-999 ? O1 GOL A 102 mPRO~A 70 -18.51 -17.97 -0.64 -18.28 -18.12 -1.60 -20.48 -18.39 0.79 -20.41 -19.61 0.67 -19.82 -17.50 -0.22 -20.66 -17.54 -1.53 3 0 -10.34-999 ?-999 ?-999 ? O1 GOL A 102s mALA~A 71 -21.23 -17.78 1.73 -21.34 -16.79 1.63 -22.72 -19.69 2.24 -22.77 -20.78 2.80 -21.83 -18.59 2.80 -22.61 -17.70 3.83 2 0 -10.24-999 ?-999 ?-999 ? O1 GOL A 102s mGLU~A 72 -23.43 -19.38 1.15 -23.30 -18.43 0.84 -23.61 -21.63 0.09 -24.19 -22.68 0.15 -24.32 -20.32 0.48 -24.91 -19.63 -0.77 2 0 13.54-999 ?-999 ?-999 ? O1 GOL A 101 mLEU~A 73 -22.34 -21.54 -0.26 -22.01 -20.60 -0.23 -20.74 -23.40 0.53 -20.05 -24.41 0.32 -21.50 -22.71 -0.64 -20.53 -22.27 -1.74 3 0 10.32-999 ?-999 ?-999 ? O1 GOL A 101 mLEU~A 74 -20.86 -22.86 1.74 -21.37 -21.99 1.75 -21.38 -24.17 3.82 -21.05 -24.93 4.74 -20.30 -23.47 2.95 -19.51 -22.46 3.79 3 0 8.26-999 ?-999 ?-999 ? O1 GOL A 101 mARG.A 75 -22.64 -23.88 3.48 -22.67 -23.08 2.87 -24.06 -25.85 3.09 -24.50 -25.75 1.94 -23.86 -24.60 3.92 -25.10 -23.70 3.71 2 0 10.26-999 ?-999 ?-999 ? O1 GOL A 101 mASP.A 76 -23.77 -27.02 3.68 -23.86 -27.01 4.68 -22.54 -29.17 3.80 -21.29 -29.12 3.84 -23.36 -28.20 2.90 -22.48 -27.74 1.71 2 0 8.42-999 ?-999 ?-999 ? O1 GOL A 101