HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-DEC-05 2D9R COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; SOURCE 3 ORGANISM_TAXID: 242619; SOURCE 4 STRAIN: W83; SOURCE 5 GENE: PG0164; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR T.A.BINKOWSKI,C.HATZOS,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 34 8 HET MSE A 72 8 HET CL A 105 1 HET CL A 106 1 HET BME A1270 4 SITE 1 AC1 2 PHE A 43 ASP A 44 SITE 1 AC2 2 ARG A 53 ARG A 71 SITE 1 AC3 3 TYR A 38 GLU A 40 CYS A 76 mSER.A 20 -12.08 25.92 15.07 -12.52 26.66 14.56 -10.18 24.18 15.11 -10.32 23.24 14.29 -11.41 24.81 15.82 -12.43 23.74 16.19 2 0 16.96-999 ?-999 ?-999 ? CL CL A 105 mPRO.A 21 -8.97 24.68 15.43 -8.96 25.38 16.14 -7.37 22.76 15.15 -7.64 22.32 16.27 -7.77 24.18 14.75 -6.68 25.18 15.18 3 0 15.18-999 ?-999 ?-999 ? CL CL A 105 mILE^A 22 -6.74 22.05 14.21 -6.80 22.43 13.29 -4.62 21.22 14.99 -3.97 22.02 14.31 -6.04 20.81 14.56 -6.03 19.83 13.37 3 0 11.70-999 ?-999 ?-999 ? CL CL A 105 mGLU^A 23 -4.15 20.68 16.10 -4.72 19.95 16.47 -2.04 19.93 17.10 -2.57 18.92 17.53 -2.88 21.13 16.71 -3.14 22.04 17.94 2 0 12.98-999 ?-999 ?-999 ? CL CL A 105 mPHE^A 24 -0.72 20.04 16.94 -0.41 20.94 16.64 1.58 19.38 17.26 1.92 20.39 16.61 0.16 18.88 17.19 0.04 17.79 16.11 3 0 12.32-999 ?-999 ?-999 ? CL CL A 105 mASP^A 25 2.41 18.72 18.06 1.96 18.11 18.71 4.43 18.10 16.82 4.01 17.00 16.55 3.85 18.89 17.97 4.54 18.44 19.24 2 0 14.47-999 ?-999 ?-999 ? S2 BME A1270 mALA^A 26 5.44 18.67 16.19 5.71 19.57 16.55 7.58 18.32 15.03 7.99 19.42 15.39 6.08 18.02 15.06 5.45 18.49 13.75 2 0 11.05-999 ?-999 ?-999 ? O1 BME A1270 mILE^A 27 8.40 17.35 14.58 7.95 16.46 14.41 10.01 18.27 13.01 9.42 17.84 12.04 9.83 17.61 14.37 10.71 16.31 14.45 3 0 9.89-999 ?-999 ?-999 ? O1 BME A1270 mILE.A 28 10.78 19.34 12.97 11.10 19.67 13.86 12.09 19.03 10.97 13.15 18.68 11.52 11.12 19.97 11.71 11.79 21.33 11.92 3 0 9.52-999 ?-999 ?-999 ? O1 BME A1270 mARG^A 29 11.68 18.63 9.77 10.79 19.00 9.51 13.09 18.52 7.78 12.65 19.64 7.47 12.46 17.72 8.90 11.56 16.62 8.31 2 0 6.73-999 ?-999 ?-999 ? O1 BME A1270 mGLN.A 30 14.13 17.97 7.15 14.40 17.09 7.52 15.38 17.57 5.10 15.89 16.55 5.56 14.79 18.64 6.02 15.89 19.63 6.50 2 0 8.16-999 ?-999 ?-999 ? O1 BME A1270 mVAL.A 31 15.26 17.78 3.79 14.68 18.56 3.53 17.44 17.26 2.99 17.81 18.46 2.91 15.95 16.91 2.85 15.48 17.13 1.42 3 0 8.52-999 ?-999 ?-999 ? O1 BME A1270 mPRO.A 32 18.28 16.26 3.24 17.89 15.34 3.22 20.33 17.37 2.39 20.08 17.09 1.21 19.69 16.57 3.51 20.33 15.20 3.72 3 0 11.50-999 ?-999 ?-999 ? O1 BME A1270 mASP.A 33 21.04 18.43 2.79 21.00 18.56 3.78 20.96 20.39 1.15 21.47 21.11 0.32 21.79 19.33 1.89 22.67 18.52 0.92 2 0 14.81-999 ?-999 ?-999 ? O1 BME A1270 mMETA 34 19.67 20.47 1.46 19.36 19.80 2.13 18.52 22.52 1.93 18.77 22.26 3.12 18.79 21.46 0.86 17.47 20.82 0.41 2 0 13.89-999 ?-999 ?-999 ? O1 BME A1270 mASP.A 35 18.02 23.68 1.53 17.88 23.74 0.55 16.31 24.71 3.08 15.97 25.37 4.07 17.72 24.78 2.51 17.87 26.16 1.87 2 0 15.09-999 ?-999 ?-999 ? O1 BME A1270 mALA.A 36 15.44 23.98 2.42 15.80 23.43 1.66 13.70 22.94 3.88 14.35 21.91 3.98 14.04 24.01 2.84 13.12 23.91 1.62 2 0 12.56-999 ?-999 ?-999 ? O1 BME A1270 mALA^A 37 12.66 23.20 4.67 12.16 24.04 4.44 10.81 22.10 5.66 10.11 22.81 4.94 12.29 22.35 5.78 12.61 23.03 7.10 2 0 10.03-999 ?-999 ?-999 ? O1 BME A1270 mTYR^A 38 10.32 21.12 6.41 11.00 20.64 6.97 8.56 20.03 7.67 9.45 19.57 8.41 8.91 20.79 6.40 8.55 19.92 5.17 3 0 -7.96-999 ?-999 ?-999 ? O1 BME A1270s mVAL^A 39 7.24 19.91 7.89 6.67 20.48 7.30 5.82 17.94 8.26 5.16 18.20 7.25 6.70 19.02 8.92 5.96 19.81 10.07 3 0 7.31-999 ?-999 ?-999 ? O1 BME A1270 mGLU^A 40 5.90 16.73 8.79 6.63 16.61 9.45 3.65 15.88 9.15 3.63 16.28 10.32 4.98 15.67 8.42 5.55 14.30 8.79 2 0 -4.77-999 ?-999 ?-999 ? S2 BME A1270s mILE.A 41 2.55 15.68 8.43 2.73 15.44 7.48 0.88 14.45 9.65 0.80 13.45 8.93 1.21 15.81 9.03 0.13 16.25 7.99 3 0 6.94-999 ?-999 ?-999 ? S2 BME A1270 mPRO.A 42 0.70 14.40 10.98 0.66 15.29 11.43 -0.83 12.55 11.77 -1.17 11.95 12.79 0.59 13.12 11.68 1.09 13.46 13.07 3 0 7.04-999 ?-999 ?-999 ? CL CL A 105 mPHE.A 43 -1.65 12.77 10.75 -1.29 13.38 10.05 -3.36 11.91 9.26 -2.68 12.39 8.36 -2.98 12.13 10.71 -4.04 12.96 11.44 3 0 -3.68-999 ?-999 ?-999 ? CL CL A 105s mASP~A 44 -4.45 11.19 9.04 -4.96 10.94 9.87 -5.52 12.04 7.01 -6.72 12.31 7.16 -4.87 10.82 7.70 -5.80 9.61 7.83 2 0 -4.03-999 ?-999 ?-999 ? CL CL A 105s mVAL~A 45 -4.70 12.79 6.27 -3.77 12.44 6.23 -6.31 13.74 4.59 -7.24 14.54 4.50 -5.16 14.01 5.60 -3.98 14.76 4.90 3 0 7.39-999 ?-999 ?-999 ? CL CL A 105 mLYS~A 46 -6.23 12.63 3.86 -5.42 12.07 4.05 -8.62 12.13 3.57 -9.60 12.73 3.16 -7.25 12.28 2.87 -6.85 11.00 2.12 2 0 9.20-999 ?-999 ?-999 ? CL CL A 105 mTHR~A 47 -8.68 11.36 4.66 -7.83 10.90 4.90 -10.41 12.56 6.03 -11.56 12.95 5.91 -9.94 11.23 5.41 -9.81 10.14 6.48 2 0 7.72-999 ?-999 ?-999 ? CL CL A 105 mVAL~A 48 -9.51 13.28 6.69 -8.57 12.94 6.63 -10.29 15.67 6.55 -11.29 16.33 6.84 -9.88 14.47 7.43 -8.74 14.85 8.45 3 0 7.75-999 ?-999 ?-999 ? CL CL A 105 mTYR~A 49 -9.52 15.94 5.49 -8.77 15.29 5.35 -10.34 16.75 3.23 -10.84 17.63 2.53 -9.78 17.09 4.63 -8.50 17.89 4.43 3 0 11.06-999 ?-999 ?-999 ? CL CL A 105 mGLY~A 50 -10.26 15.49 2.84 -9.95 14.85 3.54 -9.36 15.00 0.61 -8.25 15.35 1.04 -10.61 15.11 1.48-999.99-999.99-999.99 1 0 11.51-999 ?-999 ?-999 ? CL CL A 106 mLYS.A 51 -9.55 14.54 -0.62 -10.52 14.42 -0.84 -7.68 15.48 -2.00 -8.20 16.59 -1.93 -8.45 14.25 -1.55 -9.03 13.58 -2.81 2 0 8.79-999 ?-999 ?-999 ? CL CL A 106 mGLY.A 52 -6.47 15.29 -2.50 -6.09 14.37 -2.38 -5.02 17.29 -2.24 -4.89 16.96 -1.04 -5.77 16.38 -3.18-999.99-999.99-999.99 1 0 5.36-999 ?-999 ?-999 ? CL CL A 106 mARG.A 53 -4.52 18.43 -2.77 -4.67 18.52 -3.75 -4.80 20.15 -1.09 -5.95 20.38 -1.51 -3.82 19.44 -1.97 -3.24 20.57 -2.83 2 0 -4.13-999 ?-999 ?-999 ? CL CL A 106s mVAL^A 54 -4.32 20.60 0.06 -3.34 20.42 0.20 -4.55 22.65 1.35 -3.44 22.72 1.88 -5.18 21.29 1.02 -5.34 20.50 2.33 3 0 7.55-999 ?-999 ?-999 ? CL CL A 106 mARG^A 55 -5.28 23.71 1.04 -6.11 23.52 0.53 -5.23 25.28 2.90 -6.39 24.99 3.31 -4.86 25.05 1.44 -5.51 26.10 0.55 2 0 10.04-999 ?-999 ?-999 ? CL CL A 106 mVAL^A 56 -4.26 25.73 3.70 -3.41 25.95 3.22 -4.01 27.21 5.69 -3.07 27.82 5.13 -4.46 25.86 5.17 -3.74 24.72 6.01 3 0 12.71-999 ?-999 ?-999 ? CL CL A 106 mASN^A 57 -4.66 27.70 6.74 -5.56 27.28 6.89 -3.41 27.95 8.69 -4.07 27.27 9.46 -4.10 28.75 7.57 -5.18 29.65 8.19 2 0 16.23-999 ?-999 ?-999 ? CL CL A 106 mALA^A 58 -2.08 28.03 8.74 -1.68 28.65 8.06 -0.60 28.25 10.67 -0.49 29.44 10.39 -1.28 27.29 9.70 -0.24 26.42 8.97 2 0 16.51-999 ?-999 ?-999 ? CL CL A 106 mTHR^A 59 -0.15 27.74 11.82 -0.50 26.83 12.03 1.93 27.58 13.06 1.71 26.38 13.19 0.80 28.50 12.67 0.13 29.10 13.95 2 0 18.63-999 ?-999 ?-999 ? S2 BME A1270 mPHE^A 60 3.13 28.11 13.24 3.18 29.09 13.03 4.74 28.09 14.94 5.17 29.24 14.79 4.27 27.33 13.72 5.43 27.34 12.71 3 0 17.19-999 ?-999 ?-999 ? O1 BME A1270 mASP.A 61 4.63 27.49 16.12 4.41 26.51 16.05 4.11 29.57 17.32 4.70 30.59 17.66 4.80 28.23 17.38 6.29 28.45 17.72 2 0 19.73-999 ?-999 ?-999 ? O1 BME A1270 mGLY.A 62 2.87 29.57 16.85 2.54 28.70 16.50 2.28 31.74 15.70 1.52 32.72 15.53 2.07 30.80 16.87-999.99-999.99-999.99 1 0 22.23-999 ?-999 ?-999 ? O1 BME A1270 mTYR^A 63 3.30 31.46 14.87 3.80 30.62 15.09 2.78 31.94 12.53 2.90 30.79 12.08 3.63 32.34 13.74 5.13 32.25 13.37 3 0 21.74-999 ?-999 ?-999 ? O1 BME A1270 mPRO^A 64 1.93 32.87 12.01 2.01 33.80 12.36 1.58 32.21 9.62 2.53 32.87 9.19 0.96 32.49 10.99 0.05 33.71 10.91 3 0 20.95-999 ?-999 ?-999 ? CL CL A 106 mTYR^A 65 1.03 31.23 8.93 0.32 30.72 9.41 0.31 30.37 6.76 -0.36 29.45 7.24 1.47 30.95 7.56 2.65 29.96 7.54 3 0 17.58-999 ?-999 ?-999 ? CL CL A 106 mTHR^A 66 0.13 30.87 5.54 0.72 31.64 5.31 -0.18 29.55 3.48 0.68 30.09 2.79 -0.87 30.31 4.62 -1.78 31.43 4.08 2 0 15.20-999 ?-999 ?-999 ? CL CL A 106 mGLY^A 67 -0.56 28.28 3.29 -1.31 27.97 3.87 -0.63 26.12 2.13 -1.80 26.02 2.41 0.10 27.43 2.31-999.99-999.99-999.99 1 0 11.56-999 ?-999 ?-999 ? CL CL A 106 mTYR^A 68 0.08 25.10 1.65 1.06 25.26 1.64 0.02 22.64 1.89 1.24 22.45 1.94 -0.56 23.86 1.18 -0.38 23.70 -0.35 3 0 7.94-999 ?-999 ?-999 ? CL CL A 106 mILE^A 69 -0.86 21.81 2.43 -1.76 22.20 2.62 -0.44 19.68 1.37 -1.42 19.66 0.62 -0.47 20.44 2.69 -1.45 19.76 3.64 3 0 6.92-999 ?-999 ?-999 ? CL CL A 106 mVAL^A 70 0.70 19.08 1.07 1.41 19.13 1.77 1.15 16.93 0.01 1.73 16.56 1.03 0.85 18.39 -0.22 1.94 19.03 -1.10 3 0 3.74-999 ?-999 ?-999 ? CL CL A 106 mARG^A 71 0.80 16.12 -0.99 0.42 16.60 -1.79 2.31 14.34 -1.47 2.75 14.85 -2.49 0.94 14.68 -0.93 -0.14 13.98 -1.78 2 0 -4.14-999 ?-999 ?-999 ? CL CL A 106s mMETA 72 3.02 13.46 -0.79 2.69 13.17 0.12 3.79 11.59 -1.89 2.85 11.47 -2.68 4.19 13.01 -1.41 5.42 13.26 -0.52 2 0 6.87-999 ?-999 ?-999 ? CL CL A 106 mGLY.A 73 4.38 10.51 -1.44 5.18 10.66 -0.86 2.81 8.89 -0.79 3.13 8.86 0.38 3.84 9.22 -1.83-999.99-999.99-999.99 1 0 7.69-999 ?-999 ?-999 ? C2 BME A1270 mLEU.A 74 1.56 8.68 -1.20 1.42 8.73 -2.19 0.94 7.30 0.73 1.39 6.23 0.31 0.49 8.39 -0.24 -0.82 8.03 -0.95 3 0 8.53-999 ?-999 ?-999 ? S2 BME A1270 mPRO.A 75 0.78 7.55 2.03 1.17 6.83 2.60 0.87 9.52 3.67 0.14 10.19 4.45 0.13 8.72 2.58 -0.95 8.02 3.40 3 0 7.14-999 ?-999 ?-999 ? S2 BME A1270 mCYH.A 76 2.20 9.67 3.70 2.65 8.82 3.98 2.32 12.24 2.90 2.16 12.48 1.71 2.95 10.92 3.37 4.36 10.72 2.79 2 0 -3.64-999 ?-999 ?-999 ? S2 BME A1270s mHIS^A 77 2.01 13.10 3.88 2.06 12.69 4.80 2.57 15.44 4.41 2.88 15.19 5.58 1.65 14.51 3.63 0.18 14.81 3.99 3 0 5.06-999 ?-999 ?-999 ? S2 BME A1270 mILE^A 78 2.98 16.53 3.78 2.65 16.63 2.84 3.35 18.91 4.25 2.57 19.23 3.34 3.84 17.49 4.41 5.33 17.39 3.92 3 0 5.78-999 ?-999 ?-999 ? S2 BME A1270 mLEU^A 79 3.85 19.77 5.13 4.36 19.33 5.87 5.01 21.83 5.09 5.73 21.57 6.04 3.64 21.21 5.01 2.87 21.71 6.23 3 0 9.33-999 ?-999 ?-999 ? S2 BME A1270 mGLY^A 80 5.36 22.66 4.11 4.65 22.80 3.42 6.80 24.36 5.18 5.81 25.01 5.53 6.69 23.31 4.07-999.99-999.99-999.99 1 0 10.84-999 ?-999 ?-999 ? O1 BME A1270 mLEU^A 81 8.02 24.51 5.72 8.70 23.87 5.37 9.38 26.47 6.15 10.56 26.08 6.00 8.32 25.53 6.72 8.80 24.86 8.02 3 0 12.72-999 ?-999 ?-999 ? O1 BME A1270 mARG~A 82 8.95 27.67 5.77 8.01 27.87 6.02 11.01 29.01 5.92 10.88 29.09 7.14 9.84 28.59 5.05 9.09 29.82 4.60 2 0 15.76-999 ?-999 ?-999 ? O1 BME A1270 mGLN~A 83 12.15 29.28 5.27 12.09 29.12 4.28 13.11 31.02 6.76 13.61 31.13 7.88 13.36 29.77 5.92 14.45 30.05 4.88 2 0 17.45-999 ?-999 ?-999 ? O1 BME A1270 mASP~A 84 12.30 31.95 6.26 11.89 31.73 5.37 11.23 32.96 8.27 11.45 33.61 9.28 12.06 33.18 6.99 11.49 34.30 6.11 2 0 20.58-999 ?-999 ?-999 ? O1 BME A1270 mILE~A 85 10.29 32.03 8.23 10.15 31.59 7.34 10.44 31.01 10.46 10.34 31.27 11.67 9.55 31.70 9.44 8.36 30.82 9.14 3 0 19.21-999 ?-999 ?-999 ? O1 BME A1270 mARG~A 86 11.29 30.10 9.98 11.22 29.92 8.99 13.12 30.40 11.62 13.38 30.20 12.81 12.22 29.42 10.85 13.07 28.44 10.05 2 0 17.62-999 ?-999 ?-999 ? O1 BME A1270 mARG~A 87 13.56 31.46 10.94 13.33 31.45 9.97 13.45 33.35 12.59 13.92 33.73 13.66 14.31 32.55 11.60 14.99 33.47 10.57 2 0 21.21-999 ?-999 ?-999 ? O1 BME A1270 mALA~A 88 12.18 33.59 12.24 11.91 33.24 11.35 11.06 33.60 14.45 10.95 34.24 15.49 11.29 34.31 13.12 9.94 34.59 12.42 2 0 22.80-999 ?-999 ?-999 ? O1 BME A1270 mILE~A 89 11.00 32.26 14.43 11.15 31.83 13.54 11.98 30.87 16.25 11.93 30.26 17.30 10.72 31.53 15.67 9.56 30.49 15.46 3 0 21.21-999 ?-999 ?-999 ? O1 BME A1270 mGLY~A 90 13.10 30.99 15.53 12.96 31.46 14.66 14.40 28.98 16.10 14.87 28.45 17.12 14.40 30.48 15.98-999.99-999.99-999.99 1 0 21.07-999 ?-999 ?-999 ? O1 BME A1270 mLYS.A 91 13.87 28.30 15.09 13.53 28.88 14.35 14.37 26.26 13.78 14.08 26.80 12.69 13.80 26.83 15.09 12.35 26.32 15.27 2 0 17.46-999 ?-999 ?-999 ? O1 BME A1270 mGLN.A 92 15.14 25.18 13.90 15.23 24.85 14.84 15.48 23.04 12.66 14.88 22.47 13.58 15.81 24.55 12.76 17.31 24.77 12.88 2 0 15.22-999 ?-999 ?-999 ? O1 BME A1270 mPRO.A 93 15.83 22.39 11.51 16.18 22.95 10.76 16.17 20.21 12.67 17.27 20.47 13.18 15.69 20.95 11.43 16.52 20.58 10.19 3 0 11.91-999 ?-999 ?-999 ? O1 BME A1270 mGLY.A 94 15.35 19.29 13.15 14.52 19.15 12.61 14.92 19.15 15.55 14.59 18.42 16.48 15.66 18.57 14.36-999.99-999.99-999.99 1 0 12.28-999 ?-999 ?-999 ? O1 BME A1270 mASP.A 95 14.64 20.44 15.52 15.01 20.94 14.74 12.35 20.66 16.48 11.85 20.43 15.38 13.82 21.05 16.59 13.93 22.58 16.58 2 0 14.42-999 ?-999 ?-999 ? O1 BME A1270 mSER^A 96 11.67 20.58 17.62 12.25 20.66 18.44 9.54 21.76 17.51 10.03 22.78 18.00 10.24 20.40 17.68 9.89 19.80 19.04 2 0 14.17-999 ?-999 ?-999 ? O1 BME A1270 mVAL^A 97 8.40 21.77 16.82 8.18 20.87 16.44 6.06 22.63 16.86 5.61 21.57 16.47 7.55 22.98 16.63 7.82 23.61 15.25 3 0 14.94-999 ?-999 ?-999 ? O1 BME A1270 mTYR^A 98 5.30 23.49 17.53 5.80 24.28 17.89 3.13 23.86 16.51 3.25 25.04 16.22 3.87 23.28 17.72 3.40 23.95 19.02 3 0 16.70-999 ?-999 ?-999 ? O1 BME A1270 mVAL^A 99 2.37 23.03 15.81 2.28 22.12 16.22 0.19 23.45 14.79 -0.34 22.54 15.43 1.72 23.43 14.57 2.01 22.39 13.44 3 0 15.16-999 ?-999 ?-999 ? S2 BME A1270 mTHR^A 100 -0.50 24.45 14.25 0.06 25.21 13.92 -2.41 24.52 12.73 -1.70 25.14 11.93 -1.98 24.38 14.18 -2.71 25.45 15.07 2 0 15.49-999 ?-999 ?-999 ? CL CL A 105 mLEU^A 101 -3.57 23.96 12.40 -4.06 23.56 13.17 -5.58 24.23 10.99 -6.38 23.65 11.77 -4.07 23.94 11.03 -3.82 22.58 10.37 3 0 14.48-999 ?-999 ?-999 ? CL CL A 105 mLEU^A 102 -5.94 25.07 10.03 -5.16 25.48 9.56 -7.48 25.38 8.16 -6.73 26.09 7.49 -7.33 25.36 9.69 -7.73 26.71 10.28 3 0 16.03-999 ?-999 ?-999 ? CL CL A 105 mPRO^A 103 -8.44 24.61 7.61 -9.04 24.13 8.25 -9.13 25.81 5.56 -9.88 26.52 6.24 -8.56 24.52 6.15 -9.51 23.34 5.95 3 0 14.43-999 ?-999 ?-999 ? CL CL A 106 mLEU.A 104 -8.74 26.13 4.32 -8.09 25.47 3.93 -9.95 27.04 2.29 -10.12 25.88 1.90 -9.21 27.33 3.61 -8.05 28.26 3.31 3 0 14.95-999 ?-999 ?-999 ? CL CL A 106