REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-MAR-09 3GHJ COMPND PUTATIVE INTEGRON GENE CASSETTE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; SOURCE 3 ORGANISM_TAXID: 77133; SOURCE 4 GENE: ORF1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIPL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: P15TV LIC AUTHOR V.SURESHAN,C.DESHPANDE,S.J.HARROP,M.KUDRITSKA,J.E.KOENIG, AUTHOR 2 E.EVDOKIMOVA,Y.KIM,A.M.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK, AUTHOR 3 W.F.DOOLITTLE,H.W.STOKES,P.M.G.CURMI,B.C.MABBUTT,MIDWEST AUTHOR 4 CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 53 8 HET MSE A 100 8 >ILE.A 5 -5.75 42.87 44.65 -4.33 43.00 44.65 -5.04 42.93 44.65 3 0 1000.00 -999 ? >LYS.A 6 -8.96 39.71 43.09 -13.34 42.64 43.90 -11.15 41.18 43.50 2 0 1000.00 -999 ? >GLY.A 7 -6.13 37.07 43.08 -5.86 37.74 42.63 -5.99 37.40 42.85 1 0 1000.00 -999 ? >LEU.A 8 -2.14 34.82 41.92 0.01 34.63 41.78 -1.07 34.72 41.85 3 0 1000.00 -999 ? >PHE.A 9 -3.87 37.24 35.36 -4.33 36.78 32.64 -4.10 37.01 34.00 3 0 1000.00 -999 ? >GLU^A 10 1.56 36.63 34.23 1.38 38.32 32.96 1.47 37.47 33.60 2 0 1000.00 -999 ? >VAL^A 11 3.66 34.11 36.72 4.17 32.21 37.70 3.92 33.16 37.21 3 0 1000.00 -999 ? >ALA^A 12 6.78 34.26 34.54 7.63 35.50 34.31 7.20 34.88 34.43 2 0 1000.00 -999 ? >VAL^A 13 8.60 30.92 34.49 7.44 29.12 34.87 8.02 30.02 34.68 3 0 1000.00 -999 ? >LYS^A 14 12.25 30.69 33.43 13.23 36.00 33.01 12.74 33.35 33.22 2 0 1000.00 -999 ? >VAL^A 15 12.76 27.64 31.24 10.89 27.76 30.07 11.82 27.70 30.66 3 0 1000.00 -999 ? >LYS.A 16 15.82 25.88 29.83 20.50 26.40 32.83 18.16 26.14 31.33 2 0 1000.00 -999 ? >ASN~A 17 14.35 23.39 26.31 14.11 22.80 24.27 14.23 23.09 25.29 2 0 1000.00 -999 ? >LEU~A 18 11.12 28.01 24.36 9.66 29.61 24.48 10.39 28.81 24.42 3 0 1000.00 -999 ? >GLU~A 19 10.53 24.28 20.69 11.97 25.84 20.88 11.25 25.06 20.79 2 0 1000.00 -999 ? >LYS~A 20 10.12 21.21 25.76 15.51 17.88 25.31 12.81 19.55 25.53 2 0 1000.00 -999 ? >SER~A 21 8.55 23.38 28.44 10.16 24.13 30.09 9.36 23.76 29.26 2 0 1000.00 -999 ? >SER~A 22 5.78 24.56 26.12 6.47 26.56 24.91 6.12 25.56 25.51 2 0 1000.00 -999 ? >GLN~A 23 6.34 20.18 23.38 7.90 18.97 22.58 7.12 19.57 22.98 2 0 1000.00 -999 ? >PHE~A 24 5.51 19.96 31.58 4.83 19.29 34.19 5.17 19.63 32.88 3 0 1000.00 -999 ? >TYR~A 25 3.87 24.81 31.36 5.45 25.16 33.64 4.66 24.99 32.50 3 0 1000.00 -999 ? >THR~A 26 0.20 22.58 27.04 1.15 23.41 25.27 0.68 23.00 26.16 2 0 1000.00 -999 ? >GLU~A 27 1.31 18.58 24.45 2.76 17.53 23.33 2.03 18.06 23.89 2 0 1000.00 -999 ? >ILE~A 28 1.76 17.38 31.01 2.62 16.29 31.65 2.19 16.83 31.33 3 0 1000.00 -999 ? >LEU.A 29 -0.37 21.79 32.83 0.84 21.47 34.63 0.23 21.63 33.73 3 0 1000.00 -999 ? >GLY.A 30 -3.52 21.47 29.34 -3.04 22.04 29.62 -3.28 21.76 29.48 1 0 1000.00 -999 ? >PHE.A 31 -1.58 25.73 31.33 -1.44 25.40 34.10 -1.51 25.57 32.71 3 0 1000.00 -999 ? >GLU^A 32 -6.36 26.28 26.11 -8.31 27.15 25.94 -7.34 26.71 26.02 2 0 1000.00 -999 ? >ALA^A 33 -1.91 28.65 23.34 -1.84 28.27 21.86 -1.88 28.46 22.60 2 0 1000.00 -999 ? >GLY^A 34 -1.78 32.42 23.66 -1.21 32.08 23.11 -1.49 32.25 23.38 1 0 1000.00 -999 ? >LEU^A 35 1.27 35.72 22.52 2.33 37.19 21.32 1.80 36.45 21.92 3 0 1000.00 -999 ? >LEU^A 36 4.43 31.16 20.36 6.09 29.73 20.43 5.26 30.44 20.39 3 0 1000.00 -999 ? >ASP^A 37 7.25 36.26 21.64 8.43 37.85 20.87 7.84 37.06 21.26 2 0 1000.00 -999 ? >SER.A 38 9.91 33.08 19.00 8.86 31.27 17.76 9.39 32.18 18.38 2 0 1000.00 -999 ? >ALA.A 39 11.98 36.27 18.90 11.48 37.63 18.43 11.73 36.95 18.67 2 0 1000.00 -999 ? >ARG.A 40 10.79 40.17 24.08 8.20 40.83 25.58 9.50 40.50 24.83 2 0 1000.00 -999 ? >ARG.A 41 13.73 31.59 21.41 13.20 28.58 21.11 13.47 30.08 21.26 2 0 1000.00 -999 ? >TRP^A 42 10.73 35.50 26.66 9.57 38.87 28.31 10.15 37.19 27.49 3 0 1000.00 -999 ? >ASN^A 43 5.53 30.27 25.05 3.90 29.41 23.96 4.71 29.84 24.50 2 0 1000.00 -999 ? >PHE^A 44 2.76 35.76 26.66 4.57 37.88 26.80 3.66 36.82 26.73 3 0 1000.00 -999 ? >LEU^A 45 0.55 29.09 28.17 1.73 27.88 26.82 1.14 28.49 27.49 3 0 1000.00 -999 ? >TRP^A 46 -4.46 32.38 26.27 -5.57 35.54 28.33 -5.01 33.96 27.30 3 0 1000.00 -999 ? >VAL^A 47 -4.87 28.81 32.31 -3.66 28.51 34.11 -4.27 28.66 33.21 3 0 1000.00 -999 ? >SER.A 48 -8.57 27.89 32.59 -10.19 27.56 34.36 -9.38 27.72 33.48 2 0 1000.00 -999 ? >GLY.A 49 -9.67 30.05 29.65 -9.01 30.22 30.11 -9.34 30.13 29.88 1 0 1000.00 -999 ? >ARG.A 50 -10.63 35.80 28.08 -9.03 38.35 27.48 -9.83 37.08 27.78 2 0 1000.00 -999 ? >ALA.A 51 -8.52 32.87 34.51 -9.07 31.65 35.23 -8.80 32.26 34.87 2 0 1000.00 -999 ? >GLY^A 52 -4.72 32.84 34.60 -4.97 32.69 33.81 -4.84 32.76 34.21 1 0 1000.00 -999 ? >MET?A 53 -1.55 32.86 32.53 -0.67 36.01 29.72 -1.11 34.44 31.13 2 0 1000.00 -999 ? >VAL^A 54 1.96 31.51 32.59 1.91 29.34 32.90 1.94 30.42 32.75 3 0 1000.00 -999 ? >VAL^A 55 4.70 33.22 30.61 4.70 35.37 30.17 4.70 34.30 30.39 3 0 1000.00 -999 ? >LEU^A 56 7.29 29.48 29.00 6.17 27.76 29.74 6.73 28.62 29.37 3 0 1000.00 -999 ? >GLN^A 57 9.67 34.71 30.16 9.88 36.31 31.55 9.77 35.51 30.85 2 0 1000.00 -999 ? >GLU^A 58 15.09 29.29 26.28 15.28 28.65 24.29 15.18 28.97 25.29 2 0 1000.00 -999 ? >GLU.A 59 16.27 31.35 32.26 17.15 32.00 34.11 16.71 31.68 33.18 2 0 1000.00 -999 ? >LYS.A 60 19.90 28.92 29.34 19.63 27.20 23.29 19.77 28.06 26.32 2 0 1000.00 -999 ? >GLU.A 61 23.79 30.88 30.45 25.81 31.54 30.16 24.80 31.21 30.30 2 0 1000.00 -999 ? >ASN.A 62 21.59 32.43 35.99 21.11 33.28 37.88 21.35 32.86 36.93 2 0 1000.00 -999 ? >TRP.A 63 16.99 25.73 36.42 16.61 24.56 40.16 16.80 25.15 38.29 3 0 1000.00 -999 ? >GLN.A 64 16.70 30.89 41.83 17.35 32.80 42.55 17.03 31.85 42.19 2 0 1000.00 -999 ? >GLN.A 65 13.00 25.08 42.41 13.08 23.53 43.85 13.04 24.30 43.13 2 0 1000.00 -999 ? >GLN.A 66 11.10 30.31 39.43 10.34 31.14 37.66 10.72 30.73 38.55 2 0 1000.00 -999 ? >HIS^A 67 6.36 27.07 45.35 4.52 26.30 45.96 5.44 26.68 45.66 3 0 1000.00 -999 ? >PHE^A 68 4.57 28.63 39.78 5.72 27.48 37.60 5.14 28.05 38.69 3 0 1000.00 -999 ? >SER^A 69 0.70 26.64 42.55 1.45 25.73 44.66 1.07 26.18 43.61 2 0 1000.00 -999 ? >PHE^A 70 -1.37 25.91 38.40 0.79 26.71 36.80 -0.29 26.31 37.60 3 0 1000.00 -999 ? >ARG^A 71 -7.91 27.08 44.39 -10.11 28.66 45.82 -9.01 27.87 45.11 2 0 1000.00 -999 ? >VAL^A 72 -7.99 22.89 41.85 -6.32 21.45 41.71 -7.16 22.17 41.78 3 0 1000.00 -999 ? >GLU~A 73 -13.04 22.17 42.13 -14.47 21.55 40.70 -13.76 21.86 41.41 2 0 1000.00 -999 ? >LYS~A 74 -10.50 19.15 46.56 -10.55 21.50 52.47 -10.53 20.32 49.51 2 0 1000.00 -999 ? >SER.A 75 -12.49 16.35 44.93 -14.76 16.64 45.71 -13.63 16.50 45.32 2 0 1000.00 -999 ? >GLU~A 76 -11.65 17.82 40.34 -12.46 16.14 39.35 -12.05 16.98 39.84 2 0 1000.00 -999 ? >ILE~A 77 -6.79 16.00 45.44 -5.54 16.79 45.67 -6.17 16.39 45.56 3 0 1000.00 -999 ? >GLU~A 78 -7.48 10.98 45.52 -5.57 10.36 46.25 -6.52 10.67 45.89 2 0 1000.00 -999 ? >PRO~A 79 -10.08 12.72 40.31 -7.87 12.30 40.32 -8.98 12.51 40.31 3 0 1000.00 -999 ? >LEU~A 80 -5.21 16.36 39.52 -6.18 18.06 38.61 -5.69 17.21 39.07 3 0 1000.00 -999 ? >LYS~A 81 -2.51 12.96 40.79 -0.53 9.76 45.87 -1.52 11.36 43.33 2 0 1000.00 -999 ? >LYS~A 82 -3.35 9.90 38.69 -2.96 4.47 39.23 -3.15 7.19 38.96 2 0 1000.00 -999 ? >ALA~A 83 -3.47 11.88 35.45 -4.37 13.05 35.15 -3.92 12.46 35.30 2 0 1000.00 -999 ? >LEU~A 84 0.40 14.28 37.22 0.38 16.44 37.24 0.39 15.36 37.23 3 0 1000.00 -999 ? >GLU~A 85 1.30 9.63 39.55 0.37 8.61 41.15 0.84 9.12 40.35 2 0 1000.00 -999 ? >SER~A 86 -0.09 8.45 33.83 -2.20 7.53 34.57 -1.15 7.99 34.20 2 0 1000.00 -999 ? >LYS~A 87 1.86 11.03 31.81 -2.58 15.36 30.35 -0.36 13.19 31.08 2 0 1000.00 -999 ? >GLY.A 88 5.11 10.12 33.57 4.68 10.70 33.88 4.89 10.41 33.73 1 0 1000.00 -999 ? >VAL.A 89 5.13 12.85 36.22 4.50 14.93 35.92 4.81 13.89 36.07 3 0 1000.00 -999 ? >SER.A 90 6.06 11.91 39.77 7.49 11.23 41.62 6.77 11.57 40.69 2 0 1000.00 -999 ? >VAL.A 91 3.60 13.32 42.30 1.61 13.91 41.59 2.60 13.62 41.94 3 0 1000.00 -999 ? >HIS^A 92 5.28 14.58 48.10 5.45 14.34 50.18 5.37 14.46 49.14 3 0 1000.00 -999 ? >GLY^A 93 0.95 14.07 48.25 1.01 13.37 47.75 0.98 13.72 48.00 1 0 1000.00 -999 ? >PRO^A 94 -3.61 13.07 48.95 -1.59 14.02 48.60 -2.60 13.55 48.78 3 0 1000.00 -999 ? >VAL^A 95 -0.38 16.70 51.76 1.66 17.42 51.94 0.64 17.06 51.85 3 0 1000.00 -999 ? >ASN^A 96 -3.61 17.42 55.31 -5.07 16.03 54.61 -4.34 16.72 54.96 2 0 1000.00 -999 ? >GLN^A 97 -1.40 22.39 52.71 0.71 22.21 52.95 -0.35 22.30 52.83 2 0 1000.00 -999 ? >GLU~A 98 -4.03 19.65 59.40 -3.48 18.63 61.17 -3.75 19.14 60.29 2 0 1000.00 -999 ? >TRP~A 99 -0.27 25.28 57.83 -0.52 28.60 55.73 -0.40 26.94 56.78 3 0 1000.00 -999 ? >MET?A 100 -5.06 26.76 55.88 -2.13 26.95 52.65 -3.60 26.85 54.27 2 0 1000.00 -999 ? >GLN.A 101 -9.31 24.84 57.26 -8.57 26.68 58.05 -8.94 25.76 57.65 2 0 1000.00 -999 ? >ALA^A 102 -6.06 23.00 52.18 -5.14 24.10 51.63 -5.60 23.55 51.91 2 0 1000.00 -999 ? >VAL^A 103 -4.76 19.94 50.35 -5.91 18.10 50.30 -5.34 19.02 50.32 3 0 1000.00 -999 ? >SER^A 104 -1.69 20.05 48.09 -0.94 22.11 49.14 -1.31 21.08 48.61 2 0 1000.00 -999 ? >LEU^A 105 -0.75 17.38 44.22 -2.14 15.76 44.18 -1.44 16.57 44.20 3 0 1000.00 -999 ? >TYR^A 106 4.10 19.60 46.79 3.23 21.30 48.82 3.66 20.45 47.81 3 0 1000.00 -999 ? >PHE^A 107 3.50 18.36 39.64 1.84 20.30 38.50 2.67 19.33 39.07 3 0 1000.00 -999 ? >ALA^A 108 8.18 19.17 39.00 9.56 18.50 39.05 8.87 18.83 39.02 2 0 1000.00 -999 ? >ASP.A 109 7.72 22.24 35.22 9.32 23.61 35.29 8.52 22.92 35.25 2 0 1000.00 -999 ? >PRO.A 110 9.22 20.09 31.41 10.28 20.17 33.39 9.75 20.13 32.40 3 0 1000.00 -999 ? >ASN.A 111 12.73 24.04 34.54 12.10 24.45 32.56 12.42 24.25 33.55 2 0 1000.00 -999 ? >GLY.A 112 12.72 21.14 38.18 12.34 21.81 37.91 12.53 21.47 38.05 1 0 1000.00 -999 ? >HIS.A 113 10.74 25.99 37.80 12.16 27.29 36.98 11.45 26.64 37.39 3 0 1000.00 -999 ? >ALA^A 114 8.45 23.16 42.36 8.91 23.53 43.77 8.68 23.34 43.06 2 0 1000.00 -999 ? >LEU^A 115 4.51 22.71 39.62 5.35 23.60 37.81 4.93 23.15 38.72 3 0 1000.00 -999 ? >GLU^A 116 1.00 23.02 45.52 1.22 24.32 47.17 1.11 23.67 46.35 2 0 1000.00 -999 ? >PHE^A 117 -2.35 20.49 40.80 -1.85 19.96 38.10 -2.10 20.22 39.45 3 0 1000.00 -999 ? >THR^A 118 -3.70 23.50 45.87 -2.69 25.08 46.97 -3.19 24.29 46.42 2 0 1000.00 -999 ? >ALA^A 119 -7.29 22.75 46.85 -7.82 21.31 46.70 -7.55 22.03 46.78 2 0 1000.00 -999 ? >LEU.A 120 -8.79 26.48 49.20 -7.06 27.65 48.65 -7.93 27.07 48.93 3 0 1000.00 -999 ?