REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-06 2O9X COMPND REDUCTASE, ASSEMBLY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF0173; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR O.KIRILLOVA,M.CHRUSZCZ,T.SKARINA,E.GORODICHTCHENSKAIA,M.CYMBOROWSKI, AUTHOR 2 I.SHUMILIN,A.SAVCHENKO,A.EDWARDS,W.MINOR,MIDWEST CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 114 8 SSBOND 1 CYS A 64 CYS A 132 1555 1555 2.09 >ASN.A -6 48.85 56.76 44.37 47.16 55.49 43.86 48.00 56.12 44.12 2 0 1000.00 -999 ? >TYR.A -4 50.70 61.38 47.38 52.71 62.37 45.79 51.70 61.88 46.58 3 0 1000.00 -999 ? >PHE.A -3 45.23 59.46 47.17 44.89 62.16 46.42 45.06 60.81 46.79 3 0 1000.00 -999 ? >GLY.A -1 45.23 51.61 49.50 45.13 52.08 49.00 45.18 51.85 49.25 1 0 1000.00 -999 ? >HIS~A 0 46.86 48.57 47.66 48.68 49.31 48.37 47.77 48.94 48.01 3 0 1000.00 -999 ? >MET?A 1 41.14 48.65 45.51 37.44 49.16 45.56 39.29 48.91 45.54 2 0 1000.00 -999 ? >ARG~A 2 41.56 53.00 40.80 40.75 55.79 39.87 41.15 54.40 40.33 2 0 1000.00 -999 ? >HIS~A 4 41.75 43.77 45.54 41.39 42.32 47.01 41.57 43.05 46.28 3 0 1000.00 -999 ? >LEU~A 5 39.69 46.15 40.30 37.71 46.66 41.05 38.70 46.41 40.67 3 0 1000.00 -999 ? >PHE~A 8 39.45 39.76 41.55 39.35 38.77 44.14 39.40 39.27 42.84 3 0 1000.00 -999 ? >SER~A 9 40.64 40.95 35.81 41.07 42.21 33.86 40.85 41.58 34.83 2 0 1000.00 -999 ? >LEU~A 10 45.24 39.40 35.91 46.53 40.66 34.73 45.88 40.03 35.32 3 0 1000.00 -999 ? >PHE~A 12 38.10 35.90 36.75 37.36 35.09 39.32 37.73 35.50 38.04 3 0 1000.00 -999 ? >SER.A 13 41.25 35.96 31.45 43.03 37.33 32.21 42.14 36.65 31.83 2 0 1000.00 -999 ? >TYR.A 14 43.47 31.44 27.77 44.87 29.10 26.97 44.17 30.27 27.37 3 0 1000.00 -999 ? >PRO.A 15 45.00 30.41 31.94 45.38 32.51 31.24 45.19 31.46 31.59 3 0 1000.00 -999 ? >ASP~A 16 49.51 33.33 28.89 49.60 35.44 28.72 49.56 34.38 28.81 2 0 1000.00 -999 ? >GLY~A 21 53.63 36.92 35.70 52.80 37.11 35.81 53.22 37.01 35.75 1 0 1000.00 -999 ? >ALA~A 23 49.33 38.62 38.45 48.44 37.55 38.12 48.88 38.08 38.29 2 0 1000.00 -999 ? >ALA~A 25 53.22 40.30 40.90 53.97 40.87 39.69 53.59 40.58 40.30 2 0 1000.00 -999 ? >ALA~A 27 49.18 39.94 43.91 49.33 38.51 43.58 49.26 39.23 43.74 2 0 1000.00 -999 ? >GLY~A 29 52.62 44.15 45.47 52.10 43.63 45.81 52.36 43.89 45.64 1 0 1000.00 -999 ? >GLY.A 31 50.12 42.03 49.30 49.55 41.86 48.81 49.83 41.94 49.06 1 0 1000.00 -999 ? >THR~A 33 49.18 36.62 49.85 50.27 36.99 51.72 49.73 36.80 50.78 2 0 1000.00 -999 ? >ALA~A 36 49.73 34.64 45.33 50.62 35.64 45.98 50.17 35.14 45.65 2 0 1000.00 -999 ? >VAL.A 42 50.28 26.06 39.37 48.19 26.35 38.81 49.24 26.20 39.09 3 0 1000.00 -999 ? >ASP~A 43 50.74 22.54 35.94 51.45 21.99 33.96 51.10 22.27 34.95 2 0 1000.00 -999 ? >ALA~A 46 46.41 22.63 33.51 46.64 21.83 34.75 46.52 22.23 34.13 2 0 1000.00 -999 ? >LEU~A 47 46.26 27.19 35.00 45.36 28.90 36.01 45.81 28.04 35.51 3 0 1000.00 -999 ? >GLN~A 48 46.60 26.49 30.02 47.55 28.18 29.21 47.08 27.33 29.61 2 0 1000.00 -999 ? >VAL~A 49 42.62 23.66 30.66 43.38 21.70 30.38 43.00 22.68 30.52 3 0 1000.00 -999 ? >GLU~A 50 39.31 24.29 35.84 39.84 23.94 37.88 39.57 24.12 36.86 2 0 1000.00 -999 ? >TYR~A 51 40.36 30.13 31.53 39.19 32.55 31.04 39.78 31.34 31.28 3 0 1000.00 -999 ? >THR~A 52 38.90 26.37 29.03 40.12 25.90 27.37 39.51 26.14 28.20 2 0 1000.00 -999 ? >SER~A 53 36.67 23.74 30.46 36.49 22.64 32.70 36.58 23.19 31.58 2 0 1000.00 -999 ? >LEU~A 54 35.82 27.16 33.60 35.60 26.73 35.54 35.71 26.94 34.57 3 0 1000.00 -999 ? >PHE~A 55 35.81 30.56 32.06 36.04 30.91 34.79 35.93 30.73 33.43 3 0 1000.00 -999 ? >PRO.A 60 26.76 20.62 29.43 27.70 20.61 27.32 27.23 20.62 28.38 3 0 1000.00 -999 ? >PRO.A 63 32.05 24.95 32.03 30.06 25.92 31.80 31.05 25.44 31.91 3 0 1000.00 -999 ? >CSS.A 64 30.38 29.58 33.63 30.77 28.94 36.33 30.57 29.26 34.98 2 0 1000.00 -999 ? >PRO.A 65 28.08 31.08 30.25 30.15 31.31 31.03 29.11 31.20 30.64 3 0 1000.00 -999 ? >PRO.A 66 33.69 34.18 30.35 31.78 34.41 31.34 32.73 34.30 30.85 3 0 1000.00 -999 ? >TYR~A 67 30.30 36.49 27.99 32.42 35.56 26.52 31.36 36.02 27.25 3 0 1000.00 -999 ? >GLN~A 68 27.30 42.17 31.51 26.65 43.75 32.72 26.98 42.96 32.11 2 0 1000.00 -999 ? >SER~A 69 24.84 38.96 28.92 24.82 40.40 27.08 24.83 39.68 28.00 2 0 1000.00 -999 ? >GLU~A 72 22.36 41.03 33.65 23.19 42.83 33.06 22.77 41.93 33.35 2 0 1000.00 -999 ? >GLU~A 73 20.74 40.43 29.00 21.47 41.71 27.48 21.11 41.07 28.24 2 0 1000.00 -999 ? >GLY~A 74 20.65 34.47 28.53 21.26 34.95 28.31 20.96 34.71 28.42 1 0 1000.00 -999 ? >VAL.A 76 26.25 36.05 24.74 28.13 35.15 24.63 27.19 35.60 24.68 3 0 1000.00 -999 ? >TYR.A 77 28.38 38.88 21.08 31.15 39.10 20.57 29.76 38.99 20.83 3 0 1000.00 -999 ? >GLY~A 78 23.37 41.02 24.15 24.01 41.41 24.34 23.69 41.22 24.24 1 0 1000.00 -999 ? >ALA~A 80 24.61 44.06 28.33 24.97 42.76 29.01 24.79 43.41 28.67 2 0 1000.00 -999 ? >SER~A 81 27.27 44.17 25.71 27.41 41.88 25.23 27.34 43.02 25.47 2 0 1000.00 -999 ? >ARG~A 83 22.24 48.56 29.69 23.06 45.76 30.86 22.65 47.16 30.28 2 0 1000.00 -999 ? >ALA~A 84 28.96 47.94 28.60 29.55 46.58 28.32 29.25 47.26 28.46 2 0 1000.00 -999 ? >ALA~A 85 30.43 49.36 25.47 30.14 48.75 24.17 30.29 49.05 24.82 2 0 1000.00 -999 ? >LEU~A 87 29.08 52.57 30.21 29.96 52.28 32.11 29.52 52.42 31.16 3 0 1000.00 -999 ? >TYR~A 88 33.65 50.05 28.17 33.38 47.55 29.39 33.51 48.80 28.78 3 0 1000.00 -999 ? >SER~A 89 32.81 55.15 25.54 32.31 56.00 23.35 32.56 55.58 24.44 2 0 1000.00 -999 ? >TYR~A 91 33.32 56.36 32.30 31.47 56.74 34.39 32.40 56.55 33.35 3 0 1000.00 -999 ? >GLY.A 92 35.81 57.92 26.93 35.90 57.38 27.45 35.86 57.65 27.19 1 0 1000.00 -999 ? >ASN.A 94 39.50 54.15 22.91 40.15 53.00 21.19 39.83 53.57 22.05 2 0 1000.00 -999 ? >TYR.A 95 36.40 47.45 24.00 36.47 44.65 24.26 36.44 46.05 24.13 3 0 1000.00 -999 ? >TYR.A 97 40.10 42.96 23.26 41.28 40.47 23.60 40.69 41.72 23.43 3 0 1000.00 -999 ? >GLU.A 100 37.38 38.09 24.74 36.21 36.39 24.08 36.79 37.24 24.41 2 0 1000.00 -999 ? >PRO.A 101 31.94 39.17 24.53 33.22 40.74 23.60 32.58 39.95 24.06 3 0 1000.00 -999 ? >PRO.A 102 31.27 45.13 24.58 32.83 43.82 25.44 32.05 44.47 25.01 3 0 1000.00 -999 ? >ASP.A 103 29.07 42.54 28.35 28.53 40.92 27.10 28.80 41.73 27.73 2 0 1000.00 -999 ? >HIS~A 104 35.19 38.66 28.92 36.35 37.12 29.74 35.78 37.89 29.33 3 0 1000.00 -999 ? >SER~A 106 37.80 40.43 32.58 40.12 39.99 31.97 38.96 40.21 32.27 2 0 1000.00 -999 ? >VAL~A 107 37.17 43.62 30.66 36.83 44.24 28.60 37.00 43.93 29.63 3 0 1000.00 -999 ? >GLU~A 108 32.34 43.92 32.21 30.20 43.92 32.67 31.27 43.92 32.44 2 0 1000.00 -999 ? >LEU~A 109 37.74 43.29 36.00 36.81 41.92 37.36 37.28 42.61 36.68 3 0 1000.00 -999 ? >PHE~A 111 34.95 50.38 32.82 33.36 52.69 33.24 34.16 51.53 33.03 3 0 1000.00 -999 ? >SER~A 113 39.89 49.21 38.08 41.26 48.87 36.17 40.57 49.04 37.13 2 0 1000.00 -999 ? >MET?A 114 39.86 52.58 36.45 41.20 52.55 32.51 40.53 52.57 34.48 2 0 1000.00 -999 ? >ASN~A 115 35.60 54.18 36.55 36.66 54.93 34.93 36.13 54.56 35.74 2 0 1000.00 -999 ? >PRO~A 116 37.54 53.08 41.66 36.06 52.24 40.27 36.80 52.66 40.97 3 0 1000.00 -999 ? >GLU~A 117 33.90 56.45 40.96 35.13 56.15 39.24 34.52 56.30 40.10 2 0 1000.00 -999 ? >LEU~A 118 30.83 52.28 37.96 30.45 53.87 36.72 30.64 53.08 37.34 3 0 1000.00 -999 ? >LEU~A 119 32.35 48.37 42.15 32.69 46.20 42.28 32.52 47.28 42.22 3 0 1000.00 -999 ? >ASP~A 121 26.94 49.45 38.24 25.89 51.26 38.11 26.41 50.35 38.17 2 0 1000.00 -999 ? >ARG~A 123 27.91 43.76 45.13 29.76 46.02 46.09 28.84 44.89 45.61 2 0 1000.00 -999 ? >ASP~A 124 24.18 41.33 41.55 23.68 43.20 42.46 23.93 42.27 42.00 2 0 1000.00 -999 ? >TRP~A 125 28.42 41.90 35.49 29.58 38.54 33.91 29.00 40.22 34.70 3 0 1000.00 -999 ? >LEU~A 127 27.89 38.39 42.49 28.34 38.29 44.57 28.12 38.34 43.53 3 0 1000.00 -999 ? >PHE~A 129 31.21 35.14 36.87 33.51 34.08 35.78 32.36 34.61 36.33 3 0 1000.00 -999 ? >ALA~A 130 31.44 34.42 41.20 31.51 35.49 42.26 31.48 34.96 41.73 2 0 1000.00 -999 ? >CSS~A 132 28.83 29.65 39.44 28.72 29.25 36.63 28.78 29.45 38.04 2 0 1000.00 -999 ? >TYR~A 140 39.97 28.98 37.44 41.82 29.80 35.51 40.89 29.39 36.48 3 0 1000.00 -999 ? >ALA~A 141 37.43 27.95 42.73 37.18 26.66 43.35 37.30 27.31 43.04 2 0 1000.00 -999 ? >THR~A 142 40.00 29.51 45.12 42.03 29.19 45.75 41.02 29.35 45.44 2 0 1000.00 -999 ? >PHE~A 143 41.68 32.31 41.65 44.21 31.22 41.01 42.94 31.76 41.33 3 0 1000.00 -999 ? >ALA~A 144 36.29 32.51 42.63 35.59 31.33 41.95 35.94 31.92 42.29 2 0 1000.00 -999 ? >ALA~A 146 38.29 35.10 47.31 39.70 34.84 46.78 38.99 34.97 47.04 2 0 1000.00 -999 ? >PHE~A 147 35.72 37.78 42.40 34.73 39.76 40.67 35.23 38.77 41.54 3 0 1000.00 -999 ? >PHE~A 150 37.02 41.88 46.16 37.24 44.47 45.10 37.13 43.17 45.63 3 0 1000.00 -999 ? >LEU~A 151 32.69 42.07 45.24 31.84 40.44 44.20 32.27 41.25 44.72 3 0 1000.00 -999 ?