REMARK SOURCE hebe.pdb HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 15-JAN-10 3LEQ COMPND UNCHARACTERIZED PROTEIN CVNB5; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ROADBLOCK/LC7 DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; SOURCE 3 ORGANISM_TAXID: 227882; SOURCE 4 STRAIN: MA-4680; SOURCE 5 GENE: CVNB5, SAV2189, SAV_2189; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET DERIVATIVE AUTHOR A.J.STEIN,X.XU,H.CUI,J.NG,A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 61 8 HET MSE A 83 8 HET MSE A 116 8 HET MSE A 118 8 >HIS.A 9 25.39 24.33 -6.79 23.99 25.50 -5.74 24.69 24.91 -6.27 3 0 1000.00 -999 ? >SER~A 10 31.17 23.18 -8.10 32.25 23.92 -6.07 31.71 23.55 -7.08 2 0 1000.00 -999 ? >LEU~A 12 34.54 21.65 -3.71 35.81 21.51 -1.91 35.17 21.58 -2.81 3 0 1000.00 -999 ? >ASP~A 13 29.32 23.17 -4.04 30.24 25.07 -4.07 29.78 24.12 -4.06 2 0 1000.00 -999 ? >GLN~A 14 27.58 19.15 -6.60 27.24 18.31 -8.54 27.41 18.73 -7.57 2 0 1000.00 -999 ? >LEU~A 15 32.42 16.79 -2.27 33.54 15.16 -3.17 32.98 15.97 -2.72 3 0 1000.00 -999 ? >LEU~A 16 30.61 20.48 1.09 32.65 21.23 1.38 31.63 20.85 1.23 3 0 1000.00 -999 ? >THR~A 17 26.42 18.91 0.32 25.12 20.17 -0.89 25.77 19.54 -0.28 2 0 1000.00 -999 ? >GLY~A 18 26.77 15.13 -0.07 26.99 15.60 0.58 26.88 15.36 0.26 1 0 1000.00 -999 ? >LEU~A 19 29.77 15.58 3.75 30.94 15.33 5.57 30.35 15.46 4.66 3 0 1000.00 -999 ? >VAL~A 20 25.72 16.82 4.98 25.27 18.95 5.29 25.50 17.88 5.14 3 0 1000.00 -999 ? >ASP~A 21 22.71 14.81 1.70 21.53 16.50 1.12 22.12 15.66 1.41 2 0 1000.00 -999 ? >ARG~A 22 26.84 10.16 1.12 29.39 10.80 2.79 28.12 10.48 1.95 2 0 1000.00 -999 ? >VAL~A 23 25.63 11.93 7.49 27.77 11.80 7.94 26.70 11.87 7.72 3 0 1000.00 -999 ? >ALA.A 24 22.84 12.40 10.09 22.09 11.26 10.78 22.47 11.83 10.43 2 0 1000.00 -999 ? >GLU.A 25 26.40 11.76 13.91 25.94 9.96 12.90 26.17 10.86 13.41 2 0 1000.00 -999 ? >VAL^A 26 26.66 16.54 10.22 28.44 16.47 8.96 27.55 16.51 9.59 3 0 1000.00 -999 ? >ASP^A 27 24.13 20.50 11.18 22.78 19.44 12.46 23.45 19.97 11.82 2 0 1000.00 -999 ? >HIS^A 28 25.21 23.88 8.68 23.20 24.34 9.11 24.20 24.11 8.89 3 0 1000.00 -999 ? >ALA^A 29 30.19 22.05 6.18 30.47 20.68 5.53 30.33 21.36 5.86 2 0 1000.00 -999 ? >VAL^A 30 32.54 24.62 4.65 32.16 26.36 5.98 32.35 25.49 5.32 3 0 1000.00 -999 ? >VAL^A 31 36.02 24.70 3.18 36.96 23.25 1.87 36.49 23.98 2.52 3 0 1000.00 -999 ? >LEU^A 32 38.00 28.29 5.53 36.18 28.70 6.69 37.09 28.49 6.11 3 0 1000.00 -999 ? >SER^A 33 41.23 29.08 2.40 41.00 31.43 1.91 41.12 30.26 2.15 2 0 1000.00 -999 ? >GLY.A 36 39.65 32.65 5.90 39.70 32.71 5.09 39.67 32.68 5.49 1 0 1000.00 -999 ? >LEU.A 37 38.35 33.22 1.27 38.18 34.88 -0.09 38.27 34.05 0.59 3 0 1000.00 -999 ? >VAL^A 38 34.81 30.55 2.12 32.79 30.41 2.94 33.80 30.48 2.53 3 0 1000.00 -999 ? >VAL^A 39 35.99 28.49 -0.90 38.01 27.71 -1.37 37.00 28.10 -1.13 3 0 1000.00 -999 ? >SER^A 40 33.01 26.12 -0.77 32.63 23.88 -1.62 32.82 25.00 -1.20 2 0 1000.00 -999 ? >LYS^A 41 29.97 25.36 1.38 25.84 28.98 0.23 27.90 27.17 0.81 2 0 1000.00 -999 ? >SER.A 42 27.12 22.84 1.66 26.89 22.65 4.09 27.00 22.75 2.87 2 0 1000.00 -999 ? >THR.A 43 24.30 24.26 -0.51 24.03 22.91 -2.20 24.17 23.58 -1.36 2 0 1000.00 -999 ? >GLY.A 44 21.66 24.60 2.28 22.45 24.76 2.43 22.05 24.68 2.36 1 0 1000.00 -999 ? >PHE.A 45 26.13 26.47 5.99 27.42 27.11 8.40 26.78 26.79 7.19 3 0 1000.00 -999 ? >LEU~A 46 22.19 31.19 4.73 20.13 31.55 4.20 21.16 31.37 4.47 3 0 1000.00 -999 ? >ARG~A 47 28.17 35.38 1.78 29.34 37.72 0.14 28.76 36.55 0.96 2 0 1000.00 -999 ? >ASP~A 49 24.67 30.32 8.52 22.73 30.96 9.10 23.70 30.64 8.81 2 0 1000.00 -999 ? >ALA~A 50 28.74 30.12 6.62 28.74 29.87 5.11 28.74 30.00 5.87 2 0 1000.00 -999 ? >GLU~A 51 30.64 34.63 4.88 30.27 36.46 3.91 30.46 35.54 4.39 2 0 1000.00 -999 ? >ARG~A 52 26.85 33.62 13.39 27.48 35.28 15.93 27.17 34.45 14.66 2 0 1000.00 -999 ? >LEU~A 53 30.81 28.49 10.24 31.27 26.47 10.87 31.04 27.48 10.55 3 0 1000.00 -999 ? >ALA~A 54 34.20 31.12 8.96 34.15 31.70 7.55 34.18 31.41 8.25 2 0 1000.00 -999 ? >ALA~A 55 34.75 33.97 11.47 33.74 35.08 11.81 34.25 34.53 11.64 2 0 1000.00 -999 ? >THR~A 56 34.75 31.46 14.34 33.16 30.54 15.49 33.95 31.00 14.91 2 0 1000.00 -999 ? >ALA~A 57 37.19 29.11 12.59 36.89 28.36 11.32 37.04 28.74 11.95 2 0 1000.00 -999 ? >SER~A 58 39.53 31.96 11.68 39.61 34.36 11.09 39.57 33.16 11.39 2 0 1000.00 -999 ? >GLY~A 59 39.48 33.10 15.35 39.64 32.33 15.03 39.56 32.72 15.19 1 0 1000.00 -999 ? >LEU~A 60 39.49 28.29 15.92 38.74 26.69 17.08 39.12 27.49 16.50 3 0 1000.00 -999 ? >MET?A 61 43.31 29.42 14.24 42.66 27.17 10.86 42.99 28.30 12.55 2 0 1000.00 -999 ? >SER~A 62 44.51 32.82 15.35 43.76 34.63 13.95 44.14 33.72 14.65 2 0 1000.00 -999 ? >LEU~A 63 43.34 30.95 19.70 41.87 32.14 20.80 42.61 31.55 20.25 3 0 1000.00 -999 ? >ARG.A 77 46.11 24.72 12.55 47.06 26.57 14.82 46.59 25.64 13.68 2 0 1000.00 -999 ? >GLN^A 78 43.08 17.79 12.66 42.28 15.83 12.94 42.68 16.81 12.80 2 0 1000.00 -999 ? >ALA^A 79 40.54 21.46 16.19 40.34 22.95 16.16 40.44 22.21 16.18 2 0 1000.00 -999 ? >LEU^A 80 37.73 18.46 18.30 36.57 17.05 19.45 37.15 17.75 18.87 3 0 1000.00 -999 ? >ILE^A 81 35.08 23.53 19.85 36.11 24.23 20.49 35.60 23.88 20.17 3 0 1000.00 -999 ? >GLU^A 82 31.32 18.53 23.44 31.56 16.74 24.58 31.44 17.64 24.01 2 0 1000.00 -999 ? >MET?A 83 29.61 22.50 23.41 30.42 25.37 20.53 30.01 23.93 21.97 2 0 1000.00 -999 ? >GLY.A 84 25.93 21.99 24.29 26.33 22.14 23.55 26.13 22.07 23.92 1 0 1000.00 -999 ? >GLY.A 86 27.08 19.91 19.15 27.55 20.58 19.55 27.31 20.24 19.35 1 0 1000.00 -999 ? >TYR^A 87 31.45 17.69 18.74 31.41 15.81 20.78 31.43 16.75 19.76 3 0 1000.00 -999 ? >LEU^A 88 33.04 23.77 15.94 34.33 25.18 14.84 33.69 24.47 15.39 3 0 1000.00 -999 ? >ILE^A 89 35.13 18.69 13.77 35.08 17.30 14.14 35.11 17.99 13.96 3 0 1000.00 -999 ? >LEU^A 90 38.67 22.92 12.21 40.19 24.34 11.66 39.43 23.63 11.94 3 0 1000.00 -999 ? >THR^A 91 40.81 19.61 9.76 40.64 17.59 8.88 40.73 18.60 9.32 2 0 1000.00 -999 ? >ALA^A 92 43.38 20.37 7.05 44.88 20.07 7.13 44.13 20.22 7.09 2 0 1000.00 -999 ? >ALA.A 93 42.23 19.93 3.42 40.87 20.48 2.97 41.55 20.20 3.20 2 0 1000.00 -999 ? >GLY.A 94 45.68 20.12 1.86 45.37 20.49 2.55 45.52 20.30 2.20 1 0 1000.00 -999 ? >PRO.A 95 49.54 21.72 1.11 47.82 22.37 2.36 48.68 22.05 1.73 3 0 1000.00 -999 ? >GLY.A 96 45.93 25.86 1.58 45.51 25.28 1.92 45.72 25.57 1.75 1 0 1000.00 -999 ? >ALA^A 97 42.56 25.07 3.18 41.66 24.64 1.99 42.11 24.86 2.59 2 0 1000.00 -999 ? >HIS^A 98 42.13 24.43 7.96 44.12 24.61 8.59 43.12 24.52 8.28 3 0 1000.00 -999 ? >LEU^A 99 37.29 20.14 5.87 35.47 19.00 5.39 36.38 19.57 5.63 3 0 1000.00 -999 ? >VAL^A 100 35.06 22.85 8.94 35.51 24.82 9.83 35.28 23.83 9.38 3 0 1000.00 -999 ? >VAL^A 101 31.92 21.07 10.06 32.53 18.99 9.81 32.22 20.03 9.93 3 0 1000.00 -999 ? >LEU^A 102 28.21 22.93 12.49 28.70 24.93 13.26 28.46 23.93 12.88 3 0 1000.00 -999 ? >THR^A 103 27.50 18.59 14.07 28.97 17.63 15.32 28.24 18.11 14.69 2 0 1000.00 -999 ? >GLY.A 106 25.23 14.08 20.75 25.44 14.35 20.03 25.33 14.22 20.39 1 0 1000.00 -999 ? >ALA.A 107 27.01 13.15 17.49 27.48 14.15 16.44 27.25 13.65 16.97 2 0 1000.00 -999 ? >ASP~A 108 29.43 8.92 17.13 30.96 7.63 17.87 30.19 8.28 17.50 2 0 1000.00 -999 ? >VAL~A 109 32.92 12.25 16.98 34.08 13.63 18.18 33.50 12.94 17.58 3 0 1000.00 -999 ? >GLY~A 110 34.65 9.11 15.68 33.99 9.51 15.40 34.32 9.31 15.54 1 0 1000.00 -999 ? >VAL~A 111 32.03 8.68 12.98 30.07 7.74 12.81 31.05 8.21 12.90 3 0 1000.00 -999 ? >VAL~A 112 32.19 12.33 11.96 31.14 14.14 12.56 31.66 13.24 12.26 3 0 1000.00 -999 ? >ALA~A 113 36.01 12.40 11.95 36.96 12.23 13.11 36.48 12.31 12.53 2 0 1000.00 -999 ? >TYR~A 114 35.38 6.95 8.94 35.24 5.28 6.69 35.31 6.11 7.82 3 0 1000.00 -999 ? >GLN~A 115 31.18 10.00 7.87 30.72 8.86 6.14 30.95 9.43 7.01 2 0 1000.00 -999 ? >MET?A 116 35.57 14.06 7.14 34.97 16.68 10.47 35.27 15.37 8.81 2 0 1000.00 -999 ? >ASN~A 117 39.44 11.10 7.60 40.36 11.98 9.35 39.90 11.54 8.47 2 0 1000.00 -999 ? >MET?A 118 37.17 10.16 3.74 37.83 6.90 4.11 37.50 8.53 3.92 2 0 1000.00 -999 ? >LEU~A 119 34.94 14.44 2.82 34.28 16.36 2.00 34.61 15.40 2.41 3 0 1000.00 -999 ? >VAL~A 120 39.42 15.03 2.32 40.65 16.11 3.84 40.04 15.57 3.08 3 0 1000.00 -999 ? >LYS~A 121 40.72 11.88 0.61 44.17 8.77 3.97 42.45 10.33 2.29 2 0 1000.00 -999 ? >ILE~A 123 39.16 17.01 -1.88 38.74 18.27 -1.36 38.95 17.64 -1.62 3 0 1000.00 -999 ?