REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-JAN-09 3FXH COMPND INTEGRON GENE CASSETTE PROTEIN HFX_CASS2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 10-114; COMPND 5 ENGINEERED: 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,C.CHANG,A.M.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK, AUTHOR 3 W.F.DOOLITTLE,H.W.STOKES,P.M.G.CURMI,B.C.MABBUTT,MIDWEST CENTER FOR AUTHOR 4 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 27 8 HET MSE A 86 8 >GLN.A -1 29.13 62.26 16.73 29.69 62.92 18.67 29.41 62.59 17.70 2 0 1000.00 -999 ? >GLY.A 0 33.09 61.71 12.27 32.60 61.03 12.23 32.84 61.37 12.25 1 0 1000.00 -999 ? >MET?A 1 31.95 58.72 10.30 29.07 55.62 10.36 30.51 57.17 10.33 2 0 1000.00 -999 ? >ASN~A 2 33.33 58.79 5.70 33.14 59.26 3.64 33.24 59.02 4.67 2 0 1000.00 -999 ? >ASN~A 3 27.43 59.50 5.26 26.62 60.24 7.08 27.02 59.87 6.17 2 0 1000.00 -999 ? >LYS~A 4 29.84 57.67 1.98 32.41 58.68 -3.51 31.12 58.18 -0.76 2 0 1000.00 -999 ? >HIS~A 5 34.42 54.66 4.90 35.70 53.11 5.53 35.06 53.89 5.21 3 0 1000.00 -999 ? >ALA~A 6 29.69 53.76 5.77 28.96 54.50 6.88 29.33 54.13 6.33 2 0 1000.00 -999 ? >THR~A 7 27.28 53.31 2.86 25.97 54.63 1.79 26.63 53.97 2.32 2 0 1000.00 -999 ? >SER~A 8 29.89 51.50 0.76 30.88 53.10 -0.73 30.39 52.30 0.02 2 0 1000.00 -999 ? >ALA~A 9 30.77 49.36 3.77 31.22 49.88 5.14 30.99 49.62 4.45 2 0 1000.00 -999 ? >VAL~A 10 27.13 48.30 4.18 25.40 49.04 5.36 26.27 48.67 4.77 3 0 1000.00 -999 ? >HIS~A 11 25.92 49.44 -1.02 24.34 50.70 -1.63 25.13 50.07 -1.33 3 0 1000.00 -999 ? >GLU~A 12 32.19 44.87 1.92 34.20 45.50 2.00 33.20 45.18 1.96 2 0 1000.00 -999 ? >ILE~A 13 27.73 44.07 5.11 27.63 44.25 6.48 27.68 44.16 5.80 3 0 1000.00 -999 ? >ILE~A 14 24.27 43.72 1.09 22.89 44.23 0.95 23.58 43.97 1.02 3 0 1000.00 -999 ? >ARG~A 15 30.66 42.38 -3.34 32.62 43.94 -1.57 31.64 43.16 -2.46 2 0 1000.00 -999 ? >GLU~A 16 31.83 40.46 1.25 32.76 39.23 -0.22 32.30 39.85 0.52 2 0 1000.00 -999 ? >ILE~A 17 25.61 38.52 3.74 24.87 38.68 5.03 25.24 38.60 4.39 3 0 1000.00 -999 ? >CYH~A 18 25.12 37.05 -0.53 23.34 39.01 -1.42 24.23 38.03 -0.98 2 0 1000.00 -999 ? >ARG~A 19 31.54 37.12 -2.36 34.23 35.65 -2.11 32.88 36.38 -2.24 2 0 1000.00 -999 ? >LEU~A 20 28.01 33.73 3.32 29.71 34.31 4.51 28.86 34.02 3.92 3 0 1000.00 -999 ? >VAL~A 21 24.50 32.31 1.04 22.57 33.28 1.42 23.54 32.79 1.23 3 0 1000.00 -999 ? >ASP~A 22 26.30 32.19 -3.51 26.10 31.53 -5.50 26.20 31.86 -4.50 2 0 1000.00 -999 ? >SER~A 23 27.87 28.79 -0.96 30.01 29.84 -1.36 28.94 29.31 -1.16 2 0 1000.00 -999 ? >GLY.A 24 25.07 27.37 1.19 25.58 27.89 1.51 25.32 27.63 1.35 1 0 1000.00 -999 ? >HIS.A 25 28.62 29.31 4.20 30.39 28.40 3.54 29.51 28.86 3.87 3 0 1000.00 -999 ? >SER.A 26 23.49 29.75 7.04 21.20 28.95 7.35 22.35 29.35 7.20 2 0 1000.00 -999 ? >MET?A 27 23.15 31.15 10.54 24.75 34.69 12.36 23.95 32.92 11.45 2 0 1000.00 -999 ? >THR~A 28 20.57 30.43 13.25 21.44 29.04 14.66 21.01 29.74 13.95 2 0 1000.00 -999 ? >ARG~A 29 14.73 32.67 15.53 12.32 32.78 13.63 13.53 32.73 14.58 2 0 1000.00 -999 ? >ASP~A 30 19.60 31.35 18.81 17.76 31.22 19.88 18.68 31.28 19.34 2 0 1000.00 -999 ? >GLN~A 31 25.66 32.56 16.09 26.91 31.21 15.03 26.28 31.88 15.56 2 0 1000.00 -999 ? >PHE~A 32 21.49 37.66 13.21 21.30 40.34 12.48 21.40 39.00 12.85 3 0 1000.00 -999 ? >HIS~A 33 18.25 37.89 17.43 16.73 38.60 16.16 17.49 38.25 16.80 3 0 1000.00 -999 ? >GLU~A 34 25.25 35.45 21.39 25.69 33.45 21.94 25.47 34.45 21.66 2 0 1000.00 -999 ? >LEU~A 35 26.75 37.67 16.61 28.01 35.92 16.44 27.38 36.79 16.52 3 0 1000.00 -999 ? >SER~A 36 24.47 41.46 17.13 23.22 40.89 15.14 23.84 41.18 16.13 2 0 1000.00 -999 ? >GLU~A 37 22.82 41.55 23.12 21.67 40.17 24.25 22.24 40.86 23.69 2 0 1000.00 -999 ? >GLN~A 38 27.43 39.55 22.91 27.91 37.49 22.77 27.67 38.52 22.84 2 0 1000.00 -999 ? >GLU.A 39 27.13 46.01 20.19 27.31 48.12 20.44 27.22 47.07 20.32 2 0 1000.00 -999 ? >ARG~A 40 31.41 39.01 19.66 31.08 35.99 20.11 31.24 37.50 19.88 2 0 1000.00 -999 ? >PHE~A 41 26.46 39.97 12.34 25.57 38.86 9.92 26.01 39.41 11.13 3 0 1000.00 -999 ? >ILE~A 42 30.75 43.00 10.97 30.25 42.94 9.58 30.50 42.97 10.27 3 0 1000.00 -999 ? >ALA~A 43 33.81 40.54 13.27 34.19 40.97 14.68 34.00 40.76 13.97 2 0 1000.00 -999 ? >PHE~A 44 30.79 35.16 14.18 30.31 32.42 14.06 30.55 33.79 14.12 3 0 1000.00 -999 ? >LEU~A 45 30.89 37.62 8.96 28.76 37.26 8.69 29.82 37.44 8.83 3 0 1000.00 -999 ? >ALA~A 46 35.23 38.24 9.05 35.73 39.58 9.58 35.48 38.91 9.32 2 0 1000.00 -999 ? >GLU~A 47 37.65 34.65 13.49 39.71 35.05 13.28 38.68 34.85 13.39 2 0 1000.00 -999 ? >LYS~A 48 34.75 32.53 10.55 29.94 28.74 11.66 32.34 30.64 11.11 2 0 1000.00 -999 ? >TYR~A 49 32.38 32.79 6.63 30.18 31.39 7.60 31.28 32.09 7.12 3 0 1000.00 -999 ? >SER.A 50 38.31 34.66 6.64 39.77 33.47 8.17 39.04 34.07 7.41 2 0 1000.00 -999 ? >SER.A 51 39.43 32.13 3.99 38.08 30.14 3.69 38.75 31.14 3.84 2 0 1000.00 -999 ? >THR.A 52 36.95 33.43 1.41 35.57 31.75 1.53 36.26 32.59 1.47 2 0 1000.00 -999 ? >ILE.A 53 34.81 36.97 4.03 34.38 37.73 5.12 34.60 37.35 4.58 3 0 1000.00 -999 ? >LYS.A 54 36.41 39.90 0.83 38.34 38.62 -5.03 37.38 39.26 -2.10 2 0 1000.00 -999 ? >LEU.A 55 35.94 42.71 4.50 34.25 41.68 5.42 35.10 42.19 4.96 3 0 1000.00 -999 ? >TYR.A 56 38.01 45.61 -0.91 38.75 43.73 -2.82 38.38 44.67 -1.87 3 0 1000.00 -999 ? >TYR.A 57 34.62 49.77 2.64 34.48 51.31 0.33 34.55 50.54 1.48 3 0 1000.00 -999 ? >LEU.A 58 34.13 45.49 7.27 32.28 46.66 7.27 33.21 46.08 7.27 3 0 1000.00 -999 ? >ALA.A 59 38.77 44.15 7.44 39.48 43.43 6.30 39.13 43.79 6.87 2 0 1000.00 -999 ? >ASP.A 60 40.91 45.37 11.67 41.58 43.40 12.03 41.25 44.38 11.85 2 0 1000.00 -999 ? >SER.A 61 43.96 44.85 8.05 43.83 42.80 6.74 43.89 43.82 7.40 2 0 1000.00 -999 ? >SER.A 62 42.56 46.87 5.16 40.95 47.75 3.60 41.76 47.31 4.38 2 0 1000.00 -999 ? >PRO.A 63 44.45 49.55 2.44 43.80 49.68 4.57 44.12 49.61 3.50 3 0 1000.00 -999 ? >LEU.A 64 39.48 50.84 2.86 38.77 51.87 1.10 39.12 51.36 1.98 3 0 1000.00 -999 ? >PHE.A 65 39.38 48.97 9.68 38.23 48.59 12.18 38.81 48.78 10.93 3 0 1000.00 -999 ? >GLU~A 66 37.94 54.59 7.72 37.27 56.43 6.90 37.60 55.51 7.31 2 0 1000.00 -999 ? >LYS~A 67 36.93 52.28 13.33 40.35 55.97 14.54 38.64 54.12 13.94 2 0 1000.00 -999 ? >ASP~A 68 34.23 56.31 12.80 35.40 57.50 14.08 34.82 56.91 13.44 2 0 1000.00 -999 ? >THR~A 69 32.41 53.08 10.37 32.42 53.13 8.20 32.42 53.10 9.29 2 0 1000.00 -999 ? >SER~A 70 32.92 49.58 11.75 34.94 48.85 10.62 33.93 49.21 11.18 2 0 1000.00 -999 ? >SER~A 71 31.83 50.51 15.28 33.86 50.99 16.54 32.85 50.75 15.91 2 0 1000.00 -999 ? >PHE~A 72 27.31 53.76 12.40 24.72 54.26 11.47 26.01 54.01 11.93 3 0 1000.00 -999 ? >ILE~A 73 28.58 48.76 10.64 28.68 48.43 9.25 28.63 48.60 9.94 3 0 1000.00 -999 ? >GLU~A 74 30.77 45.88 14.56 30.55 43.81 14.17 30.66 44.85 14.37 2 0 1000.00 -999 ? >ASN~A 75 26.69 50.29 17.60 25.11 51.24 18.67 25.90 50.76 18.13 2 0 1000.00 -999 ? >ALA~A 76 23.65 49.41 14.41 23.87 50.01 13.05 23.76 49.71 13.73 2 0 1000.00 -999 ? >PHE~A 77 24.37 44.31 12.27 24.57 43.83 9.54 24.47 44.07 10.90 3 0 1000.00 -999 ? >GLY~A 78 22.85 45.43 17.86 22.42 45.88 17.30 22.64 45.66 17.58 1 0 1000.00 -999 ? >ARG~A 79 21.34 51.88 17.98 21.48 52.68 15.02 21.41 52.28 16.50 2 0 1000.00 -999 ? >HIS~A 80 18.51 48.36 13.06 18.39 50.35 12.39 18.45 49.35 12.72 3 0 1000.00 -999 ? >ALA~A 81 18.37 43.12 16.01 19.61 42.24 15.98 18.99 42.68 15.99 2 0 1000.00 -999 ? >ASN~A 82 17.63 45.35 20.28 16.54 45.71 22.08 17.08 45.53 21.18 2 0 1000.00 -999 ? >THR.A 83 13.71 45.24 17.83 14.17 47.33 17.51 13.94 46.28 17.67 2 0 1000.00 -999 ? >VAL.A 84 13.12 43.04 14.77 14.09 44.12 13.13 13.61 43.58 13.95 3 0 1000.00 -999 ? >VAL~A 85 12.85 39.30 14.22 11.31 38.81 15.66 12.08 39.05 14.94 3 0 1000.00 -999 ? >MET?A 86 12.97 36.90 11.27 15.90 35.18 10.72 14.44 36.04 11.00 2 0 1000.00 -999 ? >GLU~A 87 8.24 34.94 11.96 9.79 34.28 13.24 9.02 34.61 12.60 2 0 1000.00 -999 ? >ASP~A 88 9.97 41.78 11.34 9.15 42.02 13.28 9.56 41.90 12.31 2 0 1000.00 -999 ? >PHE~A 89 12.65 41.78 7.63 13.35 44.14 8.95 13.00 42.96 8.29 3 0 1000.00 -999 ? >GLY~A 90 8.87 37.03 6.23 9.64 37.05 6.47 9.25 37.04 6.35 1 0 1000.00 -999 ? >LEU.A 91 13.24 35.35 7.13 14.55 36.42 5.76 13.89 35.88 6.44 3 0 1000.00 -999 ? >LYS.A 92 12.20 31.59 8.97 7.72 31.52 11.66 9.96 31.56 10.31 2 0 1000.00 -999 ? >SER.A 93 15.56 29.88 8.74 14.37 28.03 7.74 14.96 28.95 8.24 2 0 1000.00 -999 ? >ASN~A 94 19.15 31.48 6.11 21.23 31.79 5.83 20.19 31.63 5.97 2 0 1000.00 -999 ? >ALA~A 95 19.48 34.63 9.78 19.85 34.56 11.26 19.67 34.60 10.52 2 0 1000.00 -999 ? >LEU~A 96 23.02 34.93 6.39 24.98 34.23 7.02 24.00 34.58 6.71 3 0 1000.00 -999 ? >LEU~A 97 18.10 36.05 4.60 18.58 34.71 2.94 18.34 35.38 3.77 3 0 1000.00 -999 ? >LEU~A 98 17.51 38.26 9.72 16.46 39.26 11.37 16.99 38.76 10.54 3 0 1000.00 -999 ? >ALA~A 99 21.14 40.57 8.39 22.49 39.89 8.48 21.82 40.23 8.43 2 0 1000.00 -999 ? >ILE~A 100 20.38 40.88 3.58 20.70 40.40 2.27 20.54 40.64 2.92 3 0 1000.00 -999 ? >ASN~A 101 16.00 42.53 6.28 14.96 41.53 4.71 15.48 42.03 5.50 2 0 1000.00 -999 ? >ILE~A 102 19.47 44.32 10.01 19.51 44.12 11.45 19.49 44.22 10.73 3 0 1000.00 -999 ? >CYH~A 103 21.55 46.33 6.39 23.75 44.65 6.05 22.65 45.49 6.22 2 0 1000.00 -999 ? >LEU~A 104 17.60 47.57 3.72 17.73 46.32 1.93 17.67 46.95 2.83 3 0 1000.00 -999 ? >ALA~A 105 17.50 49.64 7.75 17.01 48.88 8.97 17.26 49.26 8.36 2 0 1000.00 -999 ? >ILE~A 106 22.29 49.90 8.66 23.37 49.33 9.50 22.83 49.61 9.08 3 0 1000.00 -999 ? >LEU~A 107 21.08 51.69 3.66 22.61 50.73 2.49 21.85 51.21 3.07 3 0 1000.00 -999 ? >ARG~A 108 14.63 52.92 5.56 13.09 53.40 2.96 13.86 53.16 4.26 2 0 1000.00 -999 ? >GLU~A 109 19.23 54.06 10.92 19.88 53.59 12.86 19.56 53.83 11.89 2 0 1000.00 -999 ? >ILE~A 110 24.01 55.66 6.40 25.18 54.94 6.22 24.59 55.30 6.31 3 0 1000.00 -999 ? >ASN~A 111 20.71 57.54 3.07 22.05 56.01 2.39 21.38 56.78 2.73 2 0 1000.00 -999 ?