REMARK SOURCE hebe.pdb 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 >MET?A 1 34.17 35.82 18.99 31.60 33.15 16.73 32.88 34.49 17.86 2 0 -4.98 -999 ? O2 EDO A 102s >THR.A 2 32.73 39.30 19.59 30.60 38.93 19.31 31.67 39.11 19.45 2 0 -3.06 -999 ? O1 EDO A 102s >VAL.A 3 33.96 40.05 23.16 32.41 41.11 24.42 33.19 40.58 23.79 3 0 5.24 -999 ? C1 EDO A 102 >SER~A 4 37.26 38.98 24.85 38.55 40.90 25.50 37.90 39.94 25.17 2 0 9.27 -999 ? C1 EDO A 102 >ASP~A 5 38.44 36.36 28.68 37.87 34.50 27.90 38.15 35.43 28.29 2 0 8.70 -999 ? C2 EDO A 102 >ARG~A 6 42.84 42.27 29.08 44.84 43.20 26.90 43.84 42.74 27.99 2 0 15.93 -999 ? C1 EDO A 102 >GLU~A 7 36.62 43.76 25.65 35.45 43.51 23.88 36.03 43.64 24.76 2 0 8.73 -999 ? C1 EDO A 102 >LEU~A 8 33.57 39.55 29.87 32.16 38.93 28.30 32.86 39.24 29.09 3 0 7.92 -999 ? C1 EDO A 102 >GLU~A 9 37.37 38.88 33.48 39.25 37.92 33.16 38.31 38.40 33.32 2 0 13.70 -999 ? C1 EDO A 102 >GLU~A 10 37.14 47.03 31.39 37.70 48.33 32.99 37.42 47.68 32.19 2 0 12.19 -999 ? O2 GOL A 101 >CYH~A 11 32.95 45.40 32.28 30.41 45.44 31.21 31.68 45.42 31.75 2 0 13.28 -999 ? C1 EDO A 102 >ILE~A 12 32.46 42.03 35.93 32.23 40.67 36.28 32.34 41.35 36.10 3 0 11.76 -999 ? O1 GOL A 101 >ARG~A 13 38.28 44.65 37.56 40.15 42.50 36.44 39.22 43.57 37.00 2 0 13.41 -999 ? O1 GOL A 101 >ALA~A 14 33.35 48.87 35.72 33.37 49.13 34.22 33.36 49.00 34.97 2 0 9.92 -999 ? C2 GOL A 101 >LEU~A 15 28.76 47.12 35.92 27.79 47.23 33.96 28.28 47.18 34.94 3 0 10.37 -999 ? O1 GOL A 101 >LEU~A 16 31.18 45.86 40.61 30.25 43.95 41.08 30.72 44.91 40.85 3 0 -6.14 -999 ? O1 GOL A 101s >ASP~A 17 34.00 50.36 39.79 35.23 51.73 40.81 34.62 51.05 40.30 2 0 -3.42 -999 ? O2 GOL A 101s >ALA~A 18 29.93 52.45 39.69 29.32 52.61 38.28 29.63 52.53 38.98 2 0 5.76 -999 ? O3 GOL A 101 >ARG.A 19 26.11 48.78 39.88 25.93 49.33 36.84 26.02 49.05 38.36 2 0 -9.38 -999 ? C1 GOL A 101s >ALA.A 20 27.21 51.40 46.10 25.87 51.60 46.82 26.54 51.50 46.46 2 0 -6.04 -999 ? O3 GOL A 101s >ASP.A 21 29.55 49.54 49.96 31.27 50.77 49.93 30.41 50.15 49.94 2 0 -5.80 -999 ? C1 GOL A 101s >SER.A 22 25.76 47.33 49.39 23.91 48.99 49.10 24.83 48.16 49.24 2 0 9.33 -999 ? C1 GOL A 101 >ALA.A 23 25.10 46.52 45.77 25.04 47.78 44.93 25.07 47.15 45.35 2 0 7.34 -999 ? C1 GOL A 101 >SER.A 24 25.21 43.88 43.06 23.34 42.44 43.45 24.28 43.16 43.26 2 0 11.48 -999 ? O1 GOL A 101 >ILE.A 25 25.86 43.93 38.32 27.16 44.42 37.93 26.51 44.18 38.13 3 0 10.01 -999 ? O1 GOL A 101 >CYH~A 26 23.43 40.50 37.30 21.15 41.58 36.07 22.29 41.04 36.68 2 0 15.94 -999 ? O1 GOL A 101 >PRO~A 27 24.56 36.78 35.35 24.62 38.98 34.85 24.59 37.88 35.10 3 0 14.54 -999 ? C2 EDO A 102 >SER~A 28 22.48 40.62 31.87 20.21 41.20 32.75 21.34 40.91 32.31 2 0 16.33 -999 ? C2 EDO A 102 >ASP~A 29 24.06 44.45 34.59 22.31 44.83 35.77 23.18 44.64 35.18 2 0 13.85 -999 ? O1 GOL A 101 >VAL~A 30 27.25 43.00 31.83 28.88 41.87 32.88 28.06 42.44 32.36 3 0 12.71 -999 ? C1 EDO A 102 >ALA~A 31 25.97 41.44 28.56 25.08 40.25 28.42 25.52 40.84 28.49 2 0 10.08 -999 ? C1 EDO A 102 >ARG~A 32 20.03 45.00 29.21 17.51 44.15 27.54 18.77 44.57 28.37 2 0 16.71 -999 ? O1 EDO A 102 >ALA~A 33 26.72 46.90 28.56 27.48 47.08 29.88 27.10 46.99 29.22 2 0 14.24 -999 ? C1 EDO A 102 >VAL~A 34 29.03 45.09 26.06 30.07 43.39 27.05 29.55 44.24 26.56 3 0 9.68 -999 ? C1 EDO A 102 >ALA~A 35 26.39 44.10 23.45 26.64 42.61 23.09 26.51 43.35 23.27 2 0 7.80 -999 ? O1 EDO A 102 >PRO.A 36 24.59 47.93 23.08 23.87 45.93 23.82 24.23 46.93 23.45 3 0 12.68 -999 ? O1 EDO A 102 >ASP.A 37 22.49 45.64 19.30 22.50 47.80 19.00 22.50 46.72 19.15 2 0 14.24 -999 ? O1 EDO A 102 >ASP.A 38 22.77 40.93 19.83 22.27 38.91 19.44 22.52 39.92 19.63 2 0 8.95 -999 ? O1 EDO A 102 >TRP~A 39 20.55 42.38 25.62 19.14 39.56 28.01 19.84 40.97 26.81 3 0 13.21 -999 ? O1 EDO A 102 >ARG~A 40 17.82 36.23 25.11 16.44 36.32 27.87 17.13 36.27 26.49 2 0 15.67 -999 ? C2 EDO A 102 >PRO~A 41 23.77 36.00 21.47 24.09 35.57 23.64 23.93 35.79 22.55 3 0 6.99 -999 ? O1 EDO A 102 >LEU~A 42 27.38 38.15 26.19 28.80 38.94 24.80 28.09 38.55 25.50 3 0 5.56 -999 ? C1 EDO A 102 >MET?A 43 25.24 35.02 29.09 22.72 36.87 30.51 23.98 35.94 29.80 2 0 11.78 -999 ? C2 EDO A 102 >GLU~A 44 26.13 29.92 28.89 25.63 29.60 30.95 25.88 29.76 29.92 2 0 11.20 -999 ? C2 EDO A 102 >PRO~A 45 30.13 33.97 26.34 30.07 33.63 28.56 30.10 33.80 27.45 3 0 5.10 -999 ? C2 EDO A 102 >VAL~A 46 29.67 36.49 31.41 28.38 38.28 31.65 29.02 37.39 31.53 3 0 9.67 -999 ? C2 EDO A 102 >ARG~A 47 25.88 31.65 34.01 23.77 31.15 36.25 24.83 31.40 35.13 2 0 15.93 -999 ? C2 EDO A 102 >GLU~A 48 32.57 30.59 31.17 33.11 28.88 32.29 32.84 29.74 31.73 2 0 11.51 -999 ? C2 EDO A 102 >ALA~A 49 34.16 35.82 33.58 33.81 37.08 32.77 33.99 36.45 33.17 2 0 10.92 -999 ? C2 EDO A 102 >ALA~A 50 32.41 36.19 36.96 30.87 36.16 37.14 31.64 36.18 37.05 2 0 14.73 -999 ? C2 EDO A 102 >GLY~A 51 33.81 32.67 37.81 34.23 33.38 37.57 34.02 33.02 37.69 1 0 15.67 -999 ? C2 EDO A 102 >ARG~A 52 38.81 33.37 33.42 36.69 34.37 31.40 37.75 33.87 32.41 2 0 10.53 -999 ? C2 EDO A 102 >LEU~A 53 36.13 38.22 38.81 36.90 39.74 37.49 36.52 38.98 38.15 3 0 13.22 -999 ? O1 GOL A 101 >ALA~A 54 35.42 34.88 41.96 34.11 34.04 41.85 34.76 34.46 41.90 2 0 16.12 -999 ? O1 GOL A 101 >ASP~A 55 38.85 31.65 40.63 37.48 30.09 40.03 38.17 30.87 40.33 2 0 19.20 -999 ? C2 EDO A 102 >ALA~A 56 40.68 35.48 42.20 40.87 36.46 41.09 40.78 35.97 41.65 2 0 16.32 -999 ? O1 GOL A 101 >GLY.A 57 38.69 36.58 45.24 38.67 37.02 44.57 38.68 36.80 44.90 1 0 14.87 -999 ? O1 GOL A 101 >GLU.A 58 39.63 40.33 42.03 40.26 41.43 40.33 39.95 40.88 41.18 2 0 12.38 -999 ? O1 GOL A 101 >VAL^A 59 33.99 39.32 43.47 33.62 39.55 41.27 33.81 39.44 42.37 3 0 10.72 -999 ? O1 GOL A 101 >GLU^A 60 32.23 36.69 47.35 31.69 37.12 49.31 31.96 36.90 48.33 2 0 13.72 -999 ? O1 GOL A 101 >VAL^A 61 28.53 35.41 43.07 28.57 34.54 41.02 28.55 34.98 42.04 3 0 15.44 -999 ? O1 GOL A 101 >THR^A 62 25.33 34.74 45.05 25.22 36.54 46.32 25.27 35.64 45.68 2 0 15.12 -999 ? O1 GOL A 101 >GLN^A 63 20.85 31.47 42.89 20.98 29.80 41.63 20.92 30.63 42.26 2 0 22.14 -999 ? C2 EDO A 102 >LYS.A 64 19.20 33.32 46.87 15.80 29.17 44.07 17.50 31.24 45.47 2 0 -26.32 -999 ? O1 GOL A 101s >GLY.A 65 21.61 34.97 49.32 21.87 34.37 48.89 21.74 34.67 49.11 1 0 18.90 -999 ? O1 GOL A 101 >ALA^A 66 24.15 32.09 49.29 23.65 30.63 49.27 23.90 31.36 49.28 2 0 21.59 -999 ? O1 GOL A 101 >VAL^A 67 27.64 32.29 47.72 29.64 33.20 48.19 28.64 32.75 47.96 3 0 17.85 -999 ? O1 GOL A 101 >VAL.A 68 27.69 30.02 44.60 25.52 30.29 43.95 26.61 30.15 44.28 3 0 20.45 -999 ? O1 GOL A 101 >ASP.A 69 30.55 27.82 41.38 31.86 27.69 39.70 31.21 27.75 40.54 2 0 18.54 -999 ? C2 EDO A 102 >PRO.A 70 30.34 32.18 38.46 28.72 30.80 39.12 29.53 31.49 38.79 3 0 16.65 -999 ? C2 EDO A 102 >ARG.A 71 33.39 28.92 35.94 35.20 29.50 38.35 34.29 29.21 37.15 2 0 17.15 -999 ? C2 EDO A 102 >SER.A 72 27.45 25.64 38.17 29.23 24.48 39.22 28.34 25.06 38.70 2 0 19.61 -999 ? C2 EDO A 102 >ALA.A 73 24.41 27.65 39.37 24.54 29.04 40.09 24.48 28.34 39.73 2 0 19.55 -999 ? C2 EDO A 102 >ARG.A 74 17.92 24.96 37.40 18.52 22.72 35.38 18.22 23.84 36.39 2 0 21.52 -999 ? C2 EDO A 102 >GLY.A 75 19.16 30.51 36.86 19.91 30.54 37.12 19.53 30.52 36.99 1 0 19.08 -999 ? C2 EDO A 102 >PRO.A 76 17.14 34.22 37.52 19.24 33.45 37.90 18.19 33.84 37.71 3 0 19.93 -999 ? C2 EDO A 102 >ILE.A 77 23.78 34.25 39.78 24.62 33.47 38.91 24.20 33.86 39.34 3 0 18.20 -999 ? C2 EDO A 102 >ARG^A 78 21.23 39.58 41.97 20.85 42.25 40.52 21.04 40.92 41.25 2 0 14.05 -999 ? O1 GOL A 101 >ILE^A 79 28.23 39.74 39.92 28.88 39.37 38.72 28.56 39.56 39.32 3 0 11.93 -999 ? O1 GOL A 101 >ARG^A 80 27.89 39.85 47.34 27.54 38.08 49.86 27.72 38.97 48.60 2 0 13.82 -999 ? O1 GOL A 101 >TRP^A 81 32.51 46.59 44.43 35.06 45.49 41.61 33.79 46.04 43.02 3 0 -4.35 -999 ? O1 GOL A 101s >THR.A 82 34.01 40.69 47.94 35.32 38.97 47.95 34.67 39.83 47.94 2 0 11.96 -999 ? O1 GOL A 101 >ARG.A 83 31.34 45.55 50.78 32.95 47.95 51.75 32.14 46.75 51.27 2 0 7.83 -999 ? O1 GOL A 101 >THR.A 84 35.64 40.23 53.61 35.92 38.03 53.37 35.78 39.13 53.49 2 0 15.45 -999 ? O1 GOL A 101 >ASP.A 85 37.30 41.98 57.83 35.48 42.93 58.38 36.39 42.45 58.11 2 0 16.14 -999 ? O1 GOL A 101