HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-NOV-06 2NS0 COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; SOURCE 3 ORGANISM_TAXID: 101510; SOURCE 4 STRAIN: RHA1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET DERIVATIVE AUTHOR C.CHANG,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 43 8 HET EDO A 102 4 HET GOL A 101 6 SITE 1 AC1 2 MSE A 1 THR A 2 SITE 1 AC2 9 LEU A 16 ASP A 17 ARG A 19 ALA A 20 mMETA 1 34.66 35.48 20.37 34.99 35.26 21.29 33.89 37.31 18.82 34.44 37.94 17.92 34.17 35.82 18.99 32.91 35.03 18.61 2 0 -3.99-999 ?-999 ?-999 ? O1 EDO A 102s mTHR.A 2 33.05 37.87 19.68 32.67 37.25 20.37 33.25 40.11 20.78 33.42 41.33 20.67 32.73 39.30 19.59 31.20 39.53 19.41 2 0 -3.83-999 ?-999 ?-999 ? O1 EDO A 102s mVAL.A 3 33.47 39.43 21.91 33.28 38.45 21.82 35.05 39.16 23.78 34.91 37.96 23.82 33.96 40.05 23.16 32.81 40.33 24.21 3 0 4.92-999 ?-999 ?-999 ? C1 EDO A 102 mSER~A 4 36.17 39.75 24.20 36.18 40.74 24.04 36.94 38.74 26.30 36.16 39.49 26.90 37.26 38.98 24.85 38.60 39.71 24.73 2 0 7.07-999 ?-999 ?-999 ? C1 EDO A 102 mASP~A 5 37.51 37.69 26.88 37.99 37.09 26.23 37.81 38.69 29.12 37.10 39.05 30.05 37.46 37.46 28.31 38.44 36.36 28.68 2 0 8.78-999 ?-999 ?-999 ? C1 EDO A 102 mARG~A 6 38.93 39.31 28.77 39.42 38.85 28.03 38.33 41.67 29.35 38.11 42.39 30.32 39.39 40.55 29.40 40.67 41.02 28.72 2 0 11.73-999 ?-999 ?-999 ? C1 EDO A 102 mGLU~A 7 37.68 41.83 28.21 37.95 41.22 27.47 35.48 42.62 29.05 34.92 43.56 29.57 36.64 42.85 28.08 36.06 42.83 26.67 2 0 10.52-999 ?-999 ?-999 ? C1 EDO A 102 mLEU~A 8 35.08 41.35 29.20 35.60 40.68 28.68 34.38 41.24 31.51 33.57 41.76 32.30 33.98 41.01 30.07 33.57 39.55 29.87 3 0 9.83-999 ?-999 ?-999 ? C1 EDO A 102 mGLU~A 9 35.61 40.86 31.85 36.14 40.41 31.13 36.10 42.58 33.54 35.69 42.94 34.64 36.11 41.10 33.17 37.47 40.43 33.39 2 0 13.13-999 ?-999 ?-999 ? C1 EDO A 102 mGLU~A 10 36.56 43.42 32.62 36.84 42.95 31.78 35.29 45.48 32.93 35.09 46.40 33.69 36.66 44.87 32.81 37.43 45.52 31.64 2 0 13.26-999 ?-999 ?-999 ? O1 GOL A 101 mCYH~A 11 34.33 44.93 32.20 34.63 44.19 31.60 32.31 45.06 33.64 31.64 45.92 34.21 32.95 45.40 32.28 32.11 44.85 31.14 2 0 12.76-999 ?-999 ?-999 ? O1 GOL A 101 mILE~A 12 32.49 43.83 34.14 32.94 43.19 33.51 32.62 44.48 36.52 31.87 45.03 37.37 32.06 43.47 35.52 32.46 42.03 35.93 3 0 10.78-999 ?-999 ?-999 ? O1 GOL A 101 mARG~A 13 33.93 44.76 36.43 34.39 44.28 35.68 34.01 47.10 37.23 33.73 47.75 38.21 34.58 45.71 37.38 36.10 45.77 37.20 2 0 8.38-999 ?-999 ?-999 ? O1 GOL A 101 mALA~A 14 33.83 47.53 36.00 34.05 46.86 35.30 31.94 49.04 36.26 31.64 50.09 36.83 33.35 48.87 35.72 33.37 49.13 34.22 2 0 8.62-999 ?-999 ?-999 ? C2 GOL A 101 mLEU~A 15 31.07 48.05 36.02 31.42 47.27 35.51 29.64 48.11 38.04 28.97 48.91 38.65 29.68 48.17 36.51 28.76 47.12 35.92 3 0 8.24-999 ?-999 ?-999 ? O1 GOL A 101 mLEU~A 16 30.38 47.19 38.65 30.89 46.60 38.03 30.95 48.34 40.72 30.41 48.85 41.72 30.39 47.08 40.12 31.18 45.86 40.61 3 0 -5.22-999 ?-999 ?-999 ? O1 GOL A 101s mASP~A 17 32.06 48.81 40.13 32.36 48.26 39.35 31.78 51.20 40.64 31.90 52.03 41.52 32.74 50.01 40.60 34.00 50.36 39.79 2 0 -3.67-999 ?-999 ?-999 ? O1 GOL A 101s mALA~A 18 30.83 51.29 39.72 30.79 50.52 39.08 28.80 52.38 40.74 28.10 53.35 40.99 29.93 52.45 39.69 29.32 52.61 38.28 2 0 4.37-999 ?-999 ?-999 ? O3 GOL A 101 mARG.A 19 28.62 51.22 41.38 29.28 50.49 41.18 27.95 51.14 43.75 29.17 51.10 44.04 27.50 51.11 42.30 26.65 49.91 41.95 2 0 -4.38-999 ?-999 ?-999 ? O3 GOL A 101s mALA.A 20 26.99 51.30 44.66 26.08 51.36 44.25 27.85 50.13 46.66 27.69 49.03 46.08 27.21 51.40 46.10 25.87 51.60 46.82 2 0 -4.73-999 ?-999 ?-999 ? C1 GOL A 101s mASP.A 21 28.53 50.26 47.81 28.65 51.21 48.09 28.03 47.97 48.80 28.38 46.78 48.77 29.06 49.11 48.57 29.55 49.54 49.96 2 0 -5.35-999 ?-999 ?-999 ? O1 GOL A 101s mSER.A 22 26.78 48.33 49.06 26.61 49.31 49.01 25.37 46.41 48.20 24.73 45.38 48.38 25.76 47.33 49.39 24.51 48.04 49.99 2 0 8.54-999 ?-999 ?-999 ? O1 GOL A 101 mALA.A 23 25.85 46.75 47.01 26.76 47.16 47.06 25.63 45.35 44.92 26.72 44.81 45.15 25.10 46.52 45.77 25.04 47.78 44.93 2 0 7.88-999 ?-999 ?-999 ? O1 GOL A 101 mSER.A 24 24.82 44.94 43.95 23.94 45.41 43.89 24.65 44.15 41.67 23.85 45.07 41.47 25.21 43.88 43.06 24.74 42.53 43.59 2 0 9.17-999 ?-999 ?-999 ? O1 GOL A 101 mILE.A 25 25.15 43.36 40.70 25.85 42.72 41.02 24.37 41.99 38.96 24.61 41.07 39.73 24.74 43.40 39.31 25.86 43.93 38.32 3 0 10.93-999 ?-999 ?-999 ? O1 GOL A 101 mCYH~A 26 23.75 41.83 37.80 23.55 42.68 37.32 24.15 40.35 35.96 24.63 41.35 35.37 23.43 40.50 37.30 21.91 40.34 37.14 2 0 14.49-999 ?-999 ?-999 ? O1 GOL A 101 mPRO~A 27 24.28 39.11 35.49 23.89 38.40 36.07 24.37 39.65 33.02 25.11 40.14 32.18 24.96 38.85 34.20 24.74 37.34 33.98 3 0 13.87-999 ?-999 ?-999 ? C2 EDO A 102 mSER~A 28 23.05 39.81 32.95 22.53 39.36 33.67 22.93 42.09 31.89 22.99 42.70 30.83 22.48 40.62 31.87 20.94 40.47 31.75 2 0 14.07-999 ?-999 ?-999 ? C2 EDO A 102 mASP~A 29 23.25 42.65 33.05 23.11 42.06 33.85 25.11 44.11 32.37 25.37 45.08 31.66 23.77 44.02 33.13 24.06 44.45 34.59 2 0 15.02-999 ?-999 ?-999 ? O1 GOL A 101 mVAL~A 30 25.99 43.12 32.56 25.69 42.46 33.25 27.00 42.78 30.32 27.53 43.49 29.49 27.25 43.00 31.83 28.14 41.83 32.41 3 0 12.84-999 ?-999 ?-999 ? C1 EDO A 102 mALA~A 31 26.23 41.75 29.96 25.85 41.23 30.73 25.40 42.65 27.81 25.82 42.90 26.69 25.97 41.44 28.56 25.08 40.25 28.42 2 0 10.21-999 ?-999 ?-999 ? C1 EDO A 102 mARG~A 32 24.49 43.40 28.43 24.29 43.10 29.37 24.86 45.67 27.67 24.82 46.44 26.73 23.84 44.55 27.80 22.63 45.08 28.59 2 0 12.74-999 ?-999 ?-999 ? O1 EDO A 102 mALA~A 33 25.75 45.80 28.64 25.69 45.12 29.37 27.69 46.65 27.42 28.02 47.57 26.74 26.72 46.90 28.56 27.48 47.08 29.88 2 0 13.65-999 ?-999 ?-999 ? O1 EDO A 102 mVAL~A 34 28.14 45.40 27.19 27.81 44.73 27.86 28.34 44.92 24.70 28.93 45.24 23.70 29.03 45.09 26.06 30.00 43.89 26.33 3 0 10.31-999 ?-999 ?-999 ? O1 EDO A 102 mALA~A 35 27.08 44.45 24.68 26.67 44.36 25.59 24.88 44.41 23.55 24.04 43.51 23.48 26.39 44.10 23.45 26.64 42.61 23.09 2 0 9.25-999 ?-999 ?-999 ? O1 EDO A 102 mPRO.A 36 24.55 45.69 23.68 25.33 46.30 23.57 22.16 45.66 22.94 21.02 45.33 23.28 23.19 46.17 23.96 23.35 47.69 23.91 3 0 12.75-999 ?-999 ?-999 ? O1 EDO A 102 mASP.A 37 22.61 45.54 21.70 23.59 45.74 21.61 21.63 43.65 20.52 20.82 43.16 19.72 21.80 45.17 20.59 22.49 45.64 19.30 2 0 12.56-999 ?-999 ?-999 ? O1 EDO A 102 mASP.A 38 22.42 42.89 21.29 23.05 43.39 21.89 23.15 40.78 22.31 24.26 40.28 22.09 22.32 41.43 21.20 22.77 40.93 19.83 2 0 9.82-999 ?-999 ?-999 ? O1 EDO A 102 mTRP~A 39 22.57 40.78 23.50 21.60 41.05 23.48 23.11 38.94 25.16 23.94 38.43 25.92 23.28 40.41 24.72 22.90 41.40 25.84 3 0 9.29-999 ?-999 ?-999 ? O1 EDO A 102 mARG~A 40 22.05 38.26 24.71 21.50 38.75 24.02 22.89 35.92 24.93 23.18 35.06 25.76 21.75 36.90 25.21 20.40 36.31 24.69 2 0 9.95-999 ?-999 ?-999 ? O1 EDO A 102 mPRO~A 41 23.53 36.03 23.75 23.21 36.72 23.10 25.84 35.32 24.48 26.71 34.44 24.59 24.65 35.12 23.52 25.03 35.41 22.08 3 0 6.51-999 ?-999 ?-999 ? C2 EDO A 102 mLEU~A 42 25.91 36.44 25.15 25.18 37.09 24.93 26.76 36.11 27.52 27.62 36.22 28.36 27.00 36.67 26.12 27.38 38.15 26.19 3 0 5.82-999 ?-999 ?-999 ? C2 EDO A 102 mMETA 43 25.60 35.49 27.75 25.02 35.38 26.95 26.22 33.99 29.67 26.72 34.19 30.78 25.24 35.02 29.09 23.80 34.49 29.13 2 0 8.80-999 ?-999 ?-999 ? C2 EDO A 102 mGLU~A 44 26.53 32.92 28.94 26.04 32.84 28.08 28.97 32.56 29.52 29.65 32.36 30.50 27.54 31.97 29.46 27.49 30.62 28.72 2 0 8.22-999 ?-999 ?-999 ? C2 EDO A 102 mPRO~A 45 29.44 33.27 28.47 28.90 33.25 27.63 30.79 34.92 29.90 31.84 34.97 30.56 30.70 34.00 28.65 30.81 34.81 27.34 3 0 6.18-999 ?-999 ?-999 ? C2 EDO A 102 mVAL~A 46 29.69 35.61 30.24 28.91 35.47 29.63 29.77 35.68 32.69 30.48 36.08 33.61 29.67 36.49 31.41 28.40 37.41 31.46 3 0 9.22-999 ?-999 ?-999 ? C2 EDO A 102 mARG~A 47 29.07 34.55 32.78 28.44 34.41 32.01 30.66 33.10 34.07 31.15 32.97 35.21 29.24 33.61 33.91 28.28 32.42 33.82 2 0 11.59-999 ?-999 ?-999 ? C2 EDO A 102 mGLU~A 48 31.34 32.80 32.97 30.82 32.93 32.12 33.62 33.43 33.57 34.45 33.17 34.43 32.72 32.34 33.03 33.24 31.85 31.67 2 0 10.89-999 ?-999 ?-999 ? C2 EDO A 102 mALA~A 49 33.42 34.65 33.08 32.73 34.70 32.36 33.98 36.06 35.08 34.98 36.22 35.82 34.16 35.82 33.58 33.81 37.08 32.77 2 0 11.58-999 ?-999 ?-999 ? C2 EDO A 102 mALA~A 50 32.73 36.12 35.53 32.04 36.11 34.80 33.11 35.04 37.73 33.61 35.24 38.83 32.41 36.19 36.96 30.87 36.16 37.14 2 0 14.61-999 ?-999 ?-999 ? C2 EDO A 102 mGLY~A 51 33.16 33.85 37.14 32.72 33.83 36.24 35.31 32.91 37.99 35.87 32.64 39.06 33.81 32.67 37.81-999.99-999.99-999.99 1 0 15.67-999 ?-999 ?-999 ? C2 EDO A 102 mARG~A 52 35.95 33.42 36.96 35.41 33.52 36.12 37.62 34.89 38.13 38.57 34.78 38.90 37.35 33.80 37.07 37.93 34.19 35.69 2 0 15.89-999 ?-999 ?-999 ? C2 EDO A 102 mLEU~A 53 36.80 35.93 38.17 36.07 35.93 37.48 36.64 36.51 40.59 37.21 36.99 41.56 36.97 36.98 39.17 36.13 38.22 38.81 3 0 14.67-999 ?-999 ?-999 ? O1 GOL A 101 mALA~A 54 35.71 35.56 40.70 35.23 35.37 39.84 36.60 34.03 42.42 36.96 34.08 43.57 35.42 34.88 41.96 34.11 34.04 41.85 2 0 15.50-999 ?-999 ?-999 ? O1 GOL A 101 mASP~A 55 37.18 33.25 41.52 36.75 33.27 40.62 39.53 33.33 42.38 40.29 32.92 43.26 38.37 32.44 41.85 38.85 31.65 40.63 2 0 18.67-999 ?-999 ?-999 ? O1 GOL A 101 mALA~A 56 39.63 34.55 41.85 38.92 34.77 41.19 40.34 36.20 43.51 41.16 36.90 44.04 40.68 35.48 42.20 40.87 36.46 41.09 2 0 16.87-999 ?-999 ?-999 ? O1 GOL A 101 mGLY.A 57 39.12 36.02 43.99 38.52 35.46 43.42 38.22 38.01 45.14 37.88 38.59 46.16 38.69 36.58 45.24-999.99-999.99-999.99 1 0 14.87-999 ?-999 ?-999 ? O1 GOL A 101 mGLU.A 58 38.18 38.56 43.92 38.47 37.94 43.20 36.23 40.20 43.84 35.79 41.26 44.35 37.74 39.96 43.67 38.12 40.36 42.24 2 0 11.42-999 ?-999 ?-999 ? O1 GOL A 101 mVAL^A 59 35.43 39.24 43.37 35.91 38.47 42.95 33.48 38.03 44.08 34.21 37.03 44.11 33.99 39.32 43.47 33.31 39.56 42.06 3 0 10.73-999 ?-999 ?-999 ? O1 GOL A 101 mGLU^A 60 32.24 38.07 44.58 31.88 38.99 44.70 30.20 36.81 44.08 29.59 37.86 43.75 31.48 36.86 44.91 31.06 36.83 46.39 2 0 13.03-999 ?-999 ?-999 ? O1 GOL A 101 mVAL^A 61 29.77 35.60 43.79 30.36 34.86 44.10 27.58 34.78 44.09 28.00 33.87 44.86 28.53 35.41 43.07 28.73 34.44 41.86 3 0 14.91-999 ?-999 ?-999 ? O1 GOL A 101 mTHR^A 62 26.33 35.26 44.13 26.16 36.00 43.48 24.06 34.33 44.31 23.75 34.84 43.24 25.33 34.74 45.05 24.94 35.74 46.20 2 0 16.57-999 ?-999 ?-999 ? O1 GOL A 101 mGLN^A 63 23.35 33.40 44.90 23.79 33.00 45.70 21.19 32.71 45.65 21.57 31.95 46.53 22.04 32.98 44.42 22.15 31.74 43.57 2 0 19.63-999 ?-999 ?-999 ? O1 GOL A 101 mLYS.A 64 20.05 33.36 45.71 19.82 33.88 44.89 19.94 33.60 48.18 19.66 32.97 49.21 19.20 33.32 46.87 18.46 31.98 46.90 2 0 -21.12-999 ?-999 ?-999 ? O1 GOL A 101s mGLY.A 65 20.85 34.57 48.14 20.96 34.98 47.24 22.89 34.17 49.64 23.75 34.64 50.45 21.61 34.97 49.32-999.99-999.99-999.99 1 0 18.90-999 ?-999 ?-999 ? O1 GOL A 101 mALA^A 66 23.03 32.99 49.04 22.29 32.77 48.40 25.27 32.29 48.26 25.00 32.46 47.08 24.15 32.09 49.29 23.65 30.63 49.27 2 0 20.10-999 ?-999 ?-999 ? O1 GOL A 101 mVAL^A 67 26.54 32.24 48.69 26.66 32.16 49.68 27.64 30.99 46.90 27.55 29.87 47.46 27.64 32.29 47.72 29.03 32.58 48.40 3 0 18.45-999 ?-999 ?-999 ? O1 GOL A 101 mVAL.A 68 27.70 31.15 45.56 27.75 32.11 45.28 28.78 30.22 43.50 29.31 31.33 43.31 27.69 30.02 44.60 26.27 29.83 43.89 3 0 20.32-999 ?-999 ?-999 ? O1 GOL A 101 mASP.A 69 29.08 29.15 42.76 28.67 28.29 43.09 28.94 29.48 40.42 28.03 28.67 40.17 29.90 29.20 41.58 30.55 27.82 41.38 2 0 19.85-999 ?-999 ?-999 ? C2 EDO A 102 mPRO.A 70 29.15 30.60 39.69 29.94 31.14 39.99 28.36 30.00 37.40 27.45 29.96 36.56 28.30 31.00 38.55 28.94 32.30 38.07 3 0 16.67-999 ?-999 ?-999 ? C2 EDO A 102 mARG.A 71 29.43 29.22 37.35 30.08 29.38 38.09 28.71 27.01 36.50 28.39 26.32 35.54 29.61 28.23 36.29 31.10 27.84 36.13 2 0 15.24-999 ?-999 ?-999 ? C2 EDO A 102 mSER.A 72 28.30 26.79 37.75 28.62 27.50 38.38 25.98 25.95 38.43 25.13 25.09 38.27 27.45 25.64 38.17 27.97 25.05 39.47 2 0 18.39-999 ?-999 ?-999 ? C2 EDO A 102 mALA.A 73 25.72 27.18 38.88 26.54 27.76 38.85 23.40 27.75 38.24 23.71 28.22 37.16 24.41 27.65 39.37 24.54 29.04 40.09 2 0 19.40-999 ?-999 ?-999 ? C2 EDO A 102 mARG.A 74 22.18 27.31 38.53 22.10 26.95 39.46 20.23 28.59 37.84 19.80 28.87 38.96 21.06 27.34 37.59 20.20 26.06 37.74 2 0 19.48-999 ?-999 ?-999 ? C2 EDO A 102 mGLY.A 75 20.00 29.35 36.78 20.46 29.05 35.94 19.81 31.73 37.46 21.02 31.75 37.64 19.16 30.51 36.86-999.99-999.99-999.99 1 0 19.08-999 ?-999 ?-999 ? C2 EDO A 102 mPRO.A 76 19.01 32.78 37.71 18.03 32.57 37.62 20.42 34.16 39.29 20.17 33.52 40.32 19.47 34.11 38.09 18.17 34.88 38.37 3 0 19.42-999 ?-999 ?-999 ? C2 EDO A 102 mILE.A 77 21.49 34.92 39.13 21.54 35.39 38.25 22.83 36.54 40.28 22.47 37.35 39.41 22.49 35.04 40.14 23.78 34.25 39.78 3 0 18.10-999 ?-999 ?-999 ? O1 GOL A 101 mARG^A 78 23.50 36.88 41.37 23.67 36.12 42.00 25.48 38.30 41.65 26.09 37.33 42.04 23.96 38.27 41.62 23.42 38.77 42.97 2 0 14.38-999 ?-999 ?-999 ? O1 GOL A 101 mILE^A 79 26.08 39.42 41.24 25.45 40.11 40.87 27.90 40.80 42.18 27.36 41.87 41.92 27.56 39.59 41.33 28.23 39.74 39.92 3 0 11.58-999 ?-999 ?-999 ? O1 GOL A 101 mARG^A 80 28.76 40.63 43.18 29.14 39.71 43.22 30.64 41.69 44.36 31.31 40.64 44.23 29.13 41.70 44.13 28.39 41.50 45.49 2 0 8.67-999 ?-999 ?-999 ? O1 GOL A 101 mTRP^A 81 31.19 42.85 44.69 30.61 43.64 44.54 32.62 42.04 46.49 31.69 42.04 47.32 32.55 42.91 45.24 32.86 44.35 45.65 3 0 -7.03-999 ?-999 ?-999 ? O1 GOL A 101s mTHR.A 82 33.69 41.29 46.65 34.24 41.18 45.82 34.24 41.81 48.96 34.90 42.83 48.67 34.01 40.69 47.94 35.27 39.83 47.82 2 0 10.08-999 ?-999 ?-999 ? O1 GOL A 101 mARG.A 83 33.68 41.65 50.16 33.12 40.82 50.26 34.45 42.06 52.54 34.33 42.68 53.59 33.90 42.63 51.22 32.64 43.47 51.47 2 0 10.23-999 ?-999 ?-999 ? O1 GOL A 101 mTHR.A 84 35.08 40.89 52.45 35.14 40.50 51.53 36.69 41.15 54.24 37.50 41.79 53.54 35.64 40.23 53.61 36.26 38.81 53.25 2 0 13.92-999 ?-999 ?-999 ? O1 GOL A 101 mASP.A 85 36.65 41.24 55.56 35.93 40.69 55.98 39.03 41.66 56.04 39.39 40.51 55.90 37.59 42.06 56.33 37.30 41.98 57.83 2 0 15.43-999 ?-999 ?-999 ? O1 GOL A 101