REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 25-JUN-04 1TUH COMPND HYPOTHETICAL PROTEIN EGC068; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BAL32A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; SOURCE 3 ORGANISM_TAXID: 77133; SOURCE 4 GENE: EGC068; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PETMCIII AUTHOR A.ROBINSON,P.S.-C.WU,S.J.HARROP,P.M.SCHAEFFER,N.E.DIXON, AUTHOR 2 M.R.GILLINGS,A.J.HOLMES,K.M.H.NEVALAINEN,G.OTTING, AUTHOR 3 H.W.STOKES,P.M.G.CURMI,B.C.MABBUTT HET ACT A 501 4 SITE 1 AC1 8 ARG A 106 ASP A 117 VAL A 118 GLY A 119 >ASN~A 19 19.94 27.20 40.40 19.51 25.67 41.87 19.73 26.44 41.13 2 0 29.72 -999 ? OXT ACT A 501 >GLU~A 20 15.30 25.53 36.11 15.75 24.56 34.23 15.52 25.05 35.17 2 0 30.76 -999 ? O ACT A 501 >ALA~A 21 16.02 23.82 40.32 17.10 22.87 40.64 16.56 23.34 40.48 2 0 26.95 -999 ? O ACT A 501 >GLU~A 22 15.82 27.06 45.67 14.94 25.46 46.80 15.38 26.26 46.24 2 0 25.32 -999 ? OXT ACT A 501 >GLN~A 23 11.63 29.59 40.10 11.32 31.33 41.29 11.48 30.46 40.69 2 0 30.72 -999 ? O ACT A 501 >ASN~A 24 11.52 23.87 39.79 11.68 24.51 37.76 11.60 24.19 38.78 2 0 26.94 -999 ? O ACT A 501 >ALA~A 25 11.22 23.72 44.38 12.51 23.42 45.19 11.86 23.57 44.78 2 0 23.11 -999 ? OXT ACT A 501 >GLU~A 26 11.56 28.67 45.99 12.08 30.67 46.21 11.82 29.67 46.10 2 0 28.84 -999 ? OXT ACT A 501 >THR~A 27 6.91 26.61 42.97 6.74 26.90 40.91 6.83 26.76 41.94 2 0 25.79 -999 ? O ACT A 501 >VAL~A 28 6.16 23.09 44.41 6.93 21.06 44.15 6.55 22.08 44.28 3 0 20.08 -999 ? O ACT A 501 >ARG~A 29 9.30 24.76 49.99 12.17 24.31 49.00 10.73 24.54 49.49 2 0 22.48 -999 ? OXT ACT A 501 >ARG~A 30 5.10 30.31 44.99 3.71 31.87 42.76 4.40 31.09 43.87 2 0 29.12 -999 ? O ACT A 501 >GLY~A 31 1.49 24.66 45.07 1.75 24.63 45.83 1.62 24.65 45.45 1 0 21.46 -999 ? O ACT A 501 >TYR~A 32 2.56 20.32 48.50 3.48 17.78 47.63 3.02 19.05 48.07 3 0 15.27 -999 ? O ACT A 501 >ALA~A 33 0.10 25.54 50.15 1.00 26.73 50.42 0.55 26.14 50.29 2 0 22.26 -999 ? O ACT A 501 >ALA~A 34 -2.38 26.68 47.49 -1.99 27.28 46.15 -2.19 26.98 46.82 2 0 23.85 -999 ? O ACT A 501 >PHE~A 35 -3.88 20.64 47.00 -5.57 18.41 47.21 -4.72 19.52 47.10 3 0 17.08 -999 ? O ACT A 501 >ASN~A 36 -3.08 22.74 51.97 -2.16 20.84 51.98 -2.62 21.79 51.97 2 0 16.64 -999 ? O ACT A 501 >SER~A 37 -5.99 26.25 51.15 -4.69 28.01 50.16 -5.34 27.13 50.66 2 0 24.33 -999 ? O ACT A 501 >GLY~A 38 -8.13 25.73 48.02 -7.54 26.27 48.09 -7.83 26.00 48.06 1 0 23.65 -999 ? O ACT A 501 >ASP~A 39 -5.38 29.42 46.95 -4.63 31.10 45.82 -5.01 30.26 46.38 2 0 28.04 -999 ? O ACT A 501 >MET~A 40 -7.10 27.54 42.69 -7.87 23.99 43.42 -7.49 25.76 43.05 2 0 23.41 -999 ? O ACT A 501 >LYS~A 41 -6.21 30.95 41.29 -6.02 36.26 39.82 -6.11 33.60 40.56 2 0 34.97 -999 ? O ACT A 501 >THR~A 42 -2.59 30.63 42.46 -1.46 31.15 44.26 -2.03 30.89 43.36 2 0 28.01 -999 ? O ACT A 501 >LEU~A 43 -3.50 25.91 42.28 -2.90 24.11 43.33 -3.20 25.01 42.80 3 0 23.15 -999 ? O ACT A 501 >THR~A 44 -3.37 28.01 37.92 -5.14 28.96 36.92 -4.25 28.48 37.42 2 0 29.76 -999 ? O ACT A 501 >GLU~A 45 -0.79 32.67 38.33 -1.15 33.70 40.16 -0.97 33.19 39.24 2 0 31.80 -999 ? O ACT A 501 >LEU~A 46 1.84 26.69 39.96 2.15 27.95 41.69 2.00 27.32 40.83 3 0 25.65 -999 ? O ACT A 501 >PHE^A 47 -0.53 22.90 37.35 -0.32 21.11 39.50 -0.42 22.00 38.43 3 0 22.58 -999 ? O ACT A 501 >ASP^A 48 2.05 23.82 31.50 2.22 24.18 29.38 2.14 24.00 30.44 2 0 30.47 -999 ? O ACT A 501 >GLU^A 49 -2.11 25.68 28.15 -0.51 27.04 28.09 -1.31 26.36 28.12 2 0 33.36 -999 ? O ACT A 501 >ASN^A 50 -0.59 21.22 27.51 -2.03 21.61 25.95 -1.31 21.41 26.73 2 0 31.89 -999 ? O ACT A 501 >ALA^A 51 0.05 19.68 32.15 0.08 20.36 33.48 0.06 20.02 32.82 2 0 24.90 -999 ? O ACT A 501 >SER^A 52 -0.86 16.08 33.04 -0.64 15.11 30.81 -0.75 15.60 31.93 2 0 24.37 -999 ? O ACT A 501 >TRP^A 53 -2.71 14.17 39.65 0.03 16.66 40.98 -1.34 15.42 40.32 3 0 16.67 -999 ? O ACT A 501 >HIS^A 54 0.69 10.77 34.98 1.26 11.48 33.08 0.97 11.12 34.03 3 0 19.79 -999 ? O ACT A 501 >THR^A 55 -2.86 8.85 39.58 -4.53 9.72 40.75 -3.70 9.28 40.17 2 0 14.29 -999 ? O ACT A 501 >PRO.A 56 -0.75 5.80 41.87 -2.06 5.91 40.06 -1.40 5.86 40.96 3 0 12.13 -999 ? O ACT A 501 >GLY.A 57 -4.28 2.36 41.02 -4.41 2.62 40.27 -4.35 2.49 40.65 1 0 13.17 -999 ? O ACT A 501 >ARG.A 58 -6.36 -2.66 39.78 -4.63 -5.00 38.79 -5.49 -3.83 39.28 2 0 17.94 -999 ? O ACT A 501 >SER.A 59 -10.11 3.37 41.85 -9.29 5.59 42.44 -9.70 4.48 42.15 2 0 14.84 -999 ? O ACT A 501 >ARG.A 60 -16.55 5.60 39.54 -17.78 5.91 36.73 -17.16 5.76 38.13 2 0 24.99 -999 ? O ACT A 501 >ILE.A 61 -10.31 9.49 41.42 -10.04 9.39 42.25 -10.18 9.44 41.83 3 0 16.59 -999 ? O ACT A 501 >ALA.A 62 -7.22 6.68 38.78 -7.00 5.19 38.76 -7.11 5.93 38.77 2 0 16.28 -999 ? O ACT A 501 >GLY^A 63 -5.64 7.54 35.46 -5.32 8.01 36.01 -5.48 7.77 35.73 1 0 18.86 -999 ? O ACT A 501 >ASP^A 64 -3.06 9.64 32.06 -1.91 11.32 31.16 -2.48 10.48 31.61 2 0 22.80 -999 ? O ACT A 501 >HIS^A 65 -7.04 12.80 35.64 -8.09 11.26 36.62 -7.57 12.03 36.13 3 0 20.25 -999 ? O ACT A 501 >LYS^A 66 -4.36 15.31 30.59 -1.66 16.22 25.90 -3.01 15.77 28.24 2 0 29.38 -999 ? O ACT A 501 >GLY~A 67 -4.80 19.08 30.55 -4.65 18.67 31.26 -4.72 18.88 30.90 1 0 27.19 -999 ? O ACT A 501 >ARG~A 68 -3.53 25.11 34.37 -3.58 27.69 32.69 -3.55 26.40 33.53 2 0 30.96 -999 ? O ACT A 501 >GLU~A 69 -9.68 21.01 31.14 -8.03 20.67 29.86 -8.86 20.84 30.50 2 0 29.47 -999 ? O ACT A 501 >ALA~A 70 -8.59 17.77 33.95 -8.06 16.80 32.95 -8.33 17.28 33.45 2 0 25.07 -999 ? O ACT A 501 >ILE~A 71 -4.61 18.86 36.60 -3.14 18.84 36.69 -3.88 18.85 36.64 3 0 22.11 -999 ? O ACT A 501 >PHE~A 72 -6.94 22.91 38.57 -4.59 24.01 39.49 -5.76 23.46 39.03 3 0 24.37 -999 ? O ACT A 501 >ALA~A 73 -11.18 18.50 38.17 -11.68 17.89 36.92 -11.43 18.20 37.54 2 0 24.43 -999 ? O ACT A 501 >GLN~A 74 -7.20 14.02 40.25 -8.16 12.11 40.03 -7.68 13.07 40.14 2 0 17.56 -999 ? O ACT A 501 >PHE~A 75 -5.82 19.17 42.08 -3.12 18.78 41.39 -4.47 18.97 41.73 3 0 19.01 -999 ? O ACT A 501 >GLY~A 76 -11.81 19.22 42.90 -11.47 18.46 42.95 -11.64 18.84 42.93 1 0 22.00 -999 ? O ACT A 501 >ARG~A 77 -13.60 13.25 40.50 -12.13 14.03 37.87 -12.86 13.64 39.19 2 0 22.17 -999 ? O ACT A 501 >TYR~A 78 -7.67 14.72 45.19 -5.97 13.11 43.67 -6.82 13.92 44.43 3 0 14.92 -999 ? O ACT A 501 >GLY~A 79 -11.57 18.05 48.17 -11.99 17.53 47.69 -11.78 17.79 47.93 1 0 19.22 -999 ? O ACT A 501 >GLY~A 80 -15.18 17.66 46.97 -14.72 17.11 47.36 -14.95 17.39 47.16 1 0 21.86 -999 ? O ACT A 501 >GLU~A 81 -15.63 13.05 45.51 -15.26 11.39 44.29 -15.44 12.22 44.90 2 0 19.85 -999 ? O ACT A 501 >THR.A 82 -14.08 14.31 51.35 -11.96 14.28 50.78 -13.02 14.30 51.06 2 0 16.38 -999 ? CH3 ACT A 501 >GLY.A 83 -16.08 17.34 52.55 -15.26 17.26 52.34 -15.67 17.30 52.45 1 0 21.12 -999 ? CH3 ACT A 501 >GLY.A 84 -12.93 19.34 52.17 -12.98 18.71 52.60 -12.95 19.03 52.38 1 0 20.27 -999 ? CH3 ACT A 501 >THR.A 85 -10.93 17.26 54.67 -12.29 15.69 55.43 -11.61 16.47 55.05 2 0 17.05 -999 ? CH3 ACT A 501 >PHE.A 86 -7.56 15.08 49.91 -5.61 13.74 48.47 -6.58 14.41 49.19 3 0 13.12 -999 ? O ACT A 501 >LYS^A 87 -4.87 17.41 52.93 -8.15 20.42 54.73 -6.51 18.91 53.83 2 0 18.25 -999 ? CH3 ACT A 501 >ALA^A 88 -1.37 17.00 51.59 -1.03 17.34 50.13 -1.20 17.17 50.86 2 0 13.22 -999 ? O ACT A 501 >VAL^A 89 1.08 17.40 54.47 0.74 17.07 56.57 0.91 17.24 55.52 3 0 12.70 -999 ? OXT ACT A 501 >LEU^A 90 4.64 19.53 52.11 6.05 19.73 50.45 5.35 19.63 51.28 3 0 15.51 -999 ? OXT ACT A 501 >LEU^A 91 7.27 15.03 54.69 5.98 14.00 56.12 6.62 14.51 55.40 3 0 10.62 -999 ? OXT ACT A 501 >HIS^A 92 11.36 15.22 53.59 11.54 14.51 55.55 11.45 14.86 54.57 3 0 13.43 -999 ? OXT ACT A 501 >VAL^A 93 11.19 18.59 48.80 10.25 20.38 48.04 10.72 19.49 48.42 3 0 17.90 -999 ? OXT ACT A 501 >LEU^A 94 14.19 15.66 46.69 14.04 14.21 48.30 14.11 14.94 47.50 3 0 16.88 -999 ? OXT ACT A 501 >LYS^A 95 15.50 18.49 43.35 17.84 23.25 46.07 16.67 20.87 44.71 2 0 25.41 -999 ? OXT ACT A 501 >SER.A 96 17.53 17.26 40.51 16.27 17.09 38.46 16.90 17.17 39.48 2 0 24.09 -999 ? O ACT A 501 >ASP.A 97 21.66 19.10 38.75 22.80 18.35 40.52 22.23 18.73 39.64 2 0 28.06 -999 ? OXT ACT A 501 >ASP.A 98 18.01 18.57 34.90 16.81 16.81 35.46 17.41 17.69 35.18 2 0 26.16 -999 ? O ACT A 501 >GLY.A 99 14.93 21.12 37.78 14.94 20.36 37.73 14.93 20.74 37.76 1 0 26.06 -999 ? O ACT A 501 >ARG.A 100 12.90 14.42 36.61 13.05 14.55 33.51 12.97 14.49 35.06 2 0 24.57 -999 ? O ACT A 501 >VAL^A 101 11.28 18.14 41.83 10.83 20.15 42.65 11.06 19.14 42.24 3 0 20.36 -999 ? O ACT A 501 >ILE^A 102 10.37 14.20 44.44 10.44 12.76 44.35 10.40 13.48 44.39 3 0 15.14 -999 ? O ACT A 501 >GLY^A 103 7.39 16.39 46.98 7.56 15.58 46.67 7.48 15.98 46.82 1 0 14.42 -999 ? O ACT A 501 >ILE^A 104 8.42 13.11 50.54 9.39 12.02 50.86 8.91 12.56 50.70 3 0 10.73 -999 ? OXT ACT A 501 >HIS^A 105 2.17 14.50 49.88 1.05 13.69 48.28 1.61 14.10 49.08 3 0 10.17 -999 ? O ACT A 501 >ARG^A 106 2.40 10.55 56.75 1.96 7.60 55.94 2.18 9.08 56.35 2 0 -3.31 -999 ? OXT ACT A 501s >ASN^A 107 -2.94 12.07 51.04 -2.09 13.11 49.37 -2.52 12.59 50.21 2 0 9.79 -999 ? O ACT A 501 >THR^A 108 -5.08 12.50 55.07 -4.01 13.43 56.72 -4.54 12.96 55.90 2 0 10.32 -999 ? CH3 ACT A 501 >ALA^A 109 -8.83 12.74 54.62 -8.98 12.60 53.14 -8.90 12.67 53.88 2 0 12.63 -999 ? CH3 ACT A 501 >GLU^A 110 -11.86 12.17 58.06 -12.62 13.36 59.64 -12.24 12.77 58.85 2 0 16.56 -999 ? CH3 ACT A 501 >ARG^A 111 -14.62 9.60 49.68 -15.65 7.16 48.12 -15.13 8.38 48.90 2 0 17.60 -999 ? CH3 ACT A 501 >GLY.A 112 -18.15 8.28 54.67 -17.39 8.30 54.98 -17.77 8.29 54.82 1 0 18.94 -999 ? CH3 ACT A 501 >GLY.A 113 -16.67 6.97 57.91 -16.27 7.04 57.25 -16.47 7.01 57.58 1 0 17.51 -999 ? CH3 ACT A 501 >LYS^A 114 -13.35 5.92 56.29 -14.12 2.21 51.34 -13.73 4.07 53.82 2 0 15.03 -999 ? CH3 ACT A 501 >ARG^A 115 -7.98 9.66 58.19 -7.76 12.64 59.19 -7.87 11.15 58.69 2 0 12.45 -999 ? CH3 ACT A 501 >LEU^A 116 -7.26 9.05 53.40 -6.20 8.68 51.57 -6.73 8.87 52.48 3 0 8.77 -999 ? CH3 ACT A 501 >ASP^A 117 -3.44 7.97 57.27 -1.79 8.99 58.23 -2.62 8.48 57.75 2 0 -6.20 -999 ? CH3 ACT A 501s >VAL^A 118 -1.01 7.34 53.13 -2.45 6.89 51.56 -1.73 7.11 52.35 3 0 -4.03 -999 ? O ACT A 501s >GLY^A 119 2.50 8.44 52.13 1.95 8.04 51.57 2.22 8.24 51.85 1 0 -4.04 -999 ? O ACT A 501s >CYH^A 120 3.25 9.63 48.61 1.87 10.56 46.33 2.56 10.10 47.47 2 0 8.74 -999 ? O ACT A 501 >CYH^A 121 6.11 10.92 46.38 8.29 9.59 47.56 7.20 10.26 46.97 2 0 9.96 -999 ? O ACT A 501 >ILE^A 122 3.98 14.32 43.64 2.72 14.97 43.45 3.35 14.65 43.55 3 0 13.74 -999 ? O ACT A 501 >VAL^A 123 7.41 13.58 40.68 8.74 12.13 39.74 8.08 12.86 40.21 3 0 16.41 -999 ? O ACT A 501 >PHE^A 124 5.98 18.25 41.11 4.10 18.30 43.20 5.04 18.27 42.16 3 0 17.65 -999 ? O ACT A 501 >GLU^A 125 8.65 15.55 34.76 8.30 14.27 33.09 8.47 14.91 33.92 2 0 22.94 -999 ? O ACT A 501 >PHE^A 126 9.06 22.32 36.94 8.03 22.20 39.47 8.55 22.26 38.20 3 0 23.95 -999 ? O ACT A 501 >LYS^A 127 8.32 23.55 31.38 5.16 24.05 25.89 6.74 23.80 28.64 2 0 33.34 -999 ? O ACT A 501 >ASN.A 128 8.56 27.86 30.45 9.52 27.57 28.55 9.04 27.71 29.50 2 0 34.31 -999 ? O ACT A 501 >GLY.A 129 8.97 27.19 35.30 8.45 26.81 34.86 8.71 27.00 35.08 1 0 29.51 -999 ? O ACT A 501 >ARG^A 130 2.98 28.37 33.79 1.51 28.41 31.10 2.25 28.39 32.44 2 0 32.16 -999 ? O ACT A 501 >VAL^A 131 4.43 22.17 36.16 3.75 21.14 37.99 4.09 21.65 37.07 3 0 23.29 -999 ? O ACT A 501 >ILE^A 132 4.95 20.22 31.80 4.73 20.00 30.99 4.84 20.11 31.39 3 0 26.59 -999 ? O ACT A 501 >ASP^A 133 4.46 15.75 33.90 3.61 13.80 33.82 4.04 14.78 33.86 2 0 21.12 -999 ? O ACT A 501 >GLY^A 134 2.88 15.34 38.10 2.62 14.84 37.45 2.75 15.09 37.78 1 0 18.19 -999 ? O ACT A 501 >ARG^A 135 4.72 8.56 37.24 3.21 7.90 34.64 3.96 8.23 35.94 2 0 18.46 -999 ? O ACT A 501 >GLU^A 136 -0.37 11.64 42.96 -2.48 11.71 42.73 -1.42 11.67 42.84 2 0 12.85 -999 ? O ACT A 501 >HIS^A 137 5.71 7.42 42.27 6.45 7.95 40.39 6.08 7.68 41.33 3 0 12.68 -999 ? O ACT A 501 >PHE^A 138 -0.54 6.91 46.65 -2.05 9.15 46.01 -1.29 8.03 46.33 3 0 7.72 -999 ? O ACT A 501 >TYR.A 139 4.96 2.82 51.19 6.28 0.62 52.28 5.62 1.72 51.74 3 0 -5.02 -999 ? OXT ACT A 501s >ASP~A 140 0.02 1.59 51.63 -1.41 0.00 51.85 -0.69 0.79 51.74 2 0 -5.45 -999 ? O ACT A 501s >LEU~A 141 -1.06 1.61 45.63 -1.78 2.37 43.75 -1.42 1.99 44.69 3 0 8.88 -999 ? O ACT A 501 >TYR~A 142 -2.89 -2.66 47.79 -1.46 -4.22 45.90 -2.18 -3.44 46.84 3 0 10.56 -999 ? O ACT A 501 >ALA~A 143 -4.96 1.89 51.18 -4.03 2.44 52.27 -4.49 2.17 51.73 2 0 5.40 -999 ? CH3 ACT A 501 >TRP~A 144 -5.20 5.83 45.43 -5.30 9.63 46.29 -5.25 7.73 45.86 3 0 10.03 -999 ? O ACT A 501 >ASP~A 145 -7.35 1.42 45.69 -6.45 2.06 43.87 -6.90 1.74 44.78 2 0 12.08 -999 ? O ACT A 501 >GLU~A 146 -9.98 0.43 51.98 -11.78 -0.65 51.65 -10.88 -0.11 51.82 2 0 13.48 -999 ? CH3 ACT A 501 >PHE~A 147 -9.92 7.23 51.42 -10.92 9.72 52.17 -10.42 8.48 51.80 3 0 11.97 -999 ? CH3 ACT A 501 >TRP~A 148 -8.69 7.46 46.70 -10.72 10.78 47.06 -9.71 9.12 46.88 3 0 13.32 -999 ? O ACT A 501 >ARG~A 149 -14.41 -0.94 48.28 -13.05 -3.62 47.67 -13.73 -2.28 47.98 2 0 17.13 -999 ? CH3 ACT A 501