REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 21-JUL-06 2HSB COMPND HYPOTHETICAL UPF0332 PROTEIN AF0298; 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: NP_069135.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 24 13 HET MSE A 38 8 HET MSE A 45 8 HET SO4 A 126 5 HET SO4 A 127 5 HET SO4 A 128 5 HET PG4 A 129 13 HET PG4 A 130 9 HET PG4 A 131 7 HET PG4 A 132 13 HET PG4 A 133 7 SITE 1 AC1 5 TYR A 36 HIS A 56 ARG A 87 TYR A 92 SITE 1 AC2 4 SER A 53 LYS A 54 THR A 55 GLY A 58 SITE 1 AC3 5 ARG A 9 GLU A 12 ARG A 57 GLY A 58 SITE 1 AC4 8 GLY A 0 GLU A 5 TYR A 61 TRP A 64 SITE 1 AC5 5 GLU A 111 ILE A 112 GLN A 115 ASN A 119 SITE 1 AC6 7 GLU A 23 ASP A 75 LYS A 79 LEU A 107 SITE 1 AC7 8 ARG A 82 ASP A 101 ILE A 104 LYS A 105 SITE 1 AC8 7 ASP A 75 SER A 78 LYS A 79 ARG A 82 >GLY.A 0 53.31 16.44 35.68 52.58 16.85 35.50 52.94 16.65 35.59 1 0 -3.41 -999 ? C6 PG4 A 129s >MET?A 1 52.95 19.03 38.45 50.66 17.70 40.67 51.80 18.37 39.56 2 0 3.95 -999 ? C6 PG4 A 129 >ASP~A 2 55.42 21.46 35.02 54.26 20.61 33.51 54.84 21.03 34.26 2 0 5.37 -999 ? O1 PG4 A 129 >GLU~A 3 52.78 27.66 35.72 53.76 29.54 35.94 53.27 28.60 35.83 2 0 13.01 -999 ? O2 SO4 A 127 >LEU~A 4 53.05 24.11 30.96 52.80 24.55 28.83 52.92 24.33 29.90 3 0 8.32 -999 ? O1 PG4 A 129 >GLU~A 5 49.72 18.98 33.67 48.36 18.59 32.13 49.04 18.78 32.90 2 0 -3.77 -999 ? C1 PG4 A 129s >LEU~A 6 49.14 23.06 37.22 49.54 21.41 38.60 49.34 22.24 37.92 3 0 7.06 -999 ? C4 PG4 A 129 >ARG~A 7 48.72 28.97 34.47 49.12 31.38 36.28 48.92 30.18 35.37 2 0 11.38 -999 ? O2 SO4 A 127 >ILE~A 8 46.46 23.17 30.21 45.98 23.72 28.95 46.22 23.45 29.58 3 0 7.59 -999 ? O4 SO4 A 128 >ARG~A 9 42.81 19.20 35.04 40.74 16.99 35.68 41.77 18.10 35.36 2 0 -3.86 -999 ? O4 SO4 A 128s >LYS~A 10 42.80 24.67 35.73 41.97 27.38 40.65 42.39 26.02 38.19 2 0 12.34 -999 ? O3 SO4 A 126 >ALA~A 11 41.42 26.23 32.49 42.26 26.64 31.26 41.84 26.43 31.88 2 0 8.88 -999 ? O4 SO4 A 128 >GLU~A 12 41.21 21.58 30.09 42.49 19.90 29.97 41.85 20.74 30.03 2 0 -3.03 -999 ? O4 SO4 A 128s >LYS~A 13 38.12 22.60 35.06 36.02 22.08 39.87 37.07 22.34 37.47 2 0 10.62 -999 ? O4 SO4 A 128 >LEU~A 14 37.78 27.47 34.94 38.73 28.53 36.66 38.26 28.00 35.80 3 0 11.42 -999 ? O4 SO4 A 128 >VAL~A 15 35.20 25.61 31.59 35.74 25.46 29.46 35.47 25.53 30.53 3 0 9.11 -999 ? O3 PG4 A 130 >GLN~A 16 34.59 20.52 32.47 33.25 20.12 30.82 33.92 20.32 31.65 2 0 8.54 -999 ? C6 PG4 A 130 >ASP~A 17 33.42 25.48 37.20 34.42 24.19 38.59 33.92 24.84 37.90 2 0 11.74 -999 ? O4 SO4 A 128 >ALA~A 18 31.10 27.55 33.99 31.92 28.31 32.94 31.51 27.93 33.46 2 0 13.22 -999 ? O3 PG4 A 130 >LYS~A 19 28.95 25.07 32.08 32.15 21.70 27.83 30.55 23.39 29.96 2 0 6.67 -999 ? C5 PG4 A 130 >LYS~A 20 27.40 23.98 35.41 30.82 19.30 38.03 29.11 21.64 36.72 2 0 12.35 -999 ? O3 SO4 A 128 >GLU~A 21 28.73 28.47 37.97 30.50 29.63 38.05 29.62 29.05 38.01 2 0 14.36 -999 ? O3 SO4 A 126 >PHE~A 22 24.72 28.41 30.70 22.94 29.19 28.72 23.83 28.80 29.71 3 0 8.38 -999 ? O5 PG4 A 132 >GLU~A 23 23.52 23.25 32.39 24.76 21.53 32.46 24.14 22.39 32.43 2 0 -12.13 -999 ? O1 PG4 A 133s >MET?A 24 21.83 26.48 37.22 20.79 25.83 40.42 21.31 26.15 38.82 2 0 19.01 -999 ? O1 PG4 A 133 >GLY~A 25 20.96 29.88 35.70 21.63 29.76 36.14 21.29 29.82 35.92 1 0 14.16 -999 ? O5 PG4 A 132 >LEU~A 26 24.83 31.01 38.39 24.16 30.39 40.36 24.49 30.70 39.37 3 0 17.95 -999 ? O5 PG4 A 132 >TYR~A 27 22.47 33.50 33.09 20.37 31.74 32.53 21.42 32.62 32.81 3 0 11.52 -999 ? O5 PG4 A 132 >GLU~A 28 25.65 38.41 36.60 25.52 40.01 37.99 25.59 39.21 37.30 2 0 14.51 -999 ? O2 SO4 A 126 >ARG~A 29 28.07 34.56 40.47 30.51 36.37 40.09 29.29 35.46 40.28 2 0 10.72 -999 ? O3 SO4 A 126 >CYH~A 30 29.28 31.72 34.41 28.60 30.66 31.88 28.94 31.19 33.14 2 0 10.77 -999 ? C6 PG4 A 132 >CYH~A 31 30.83 34.77 32.68 28.74 36.04 31.37 29.78 35.41 32.03 2 0 10.89 -999 ? C6 PG4 A 132 >SER~A 32 33.34 35.35 35.48 34.11 35.51 37.76 33.73 35.43 36.62 2 0 7.99 -999 ? O3 SO4 A 126 >THR~A 33 34.38 31.64 35.53 33.57 29.98 36.61 33.98 30.81 36.07 2 0 12.36 -999 ? O3 SO4 A 126 >ALA~A 34 34.64 31.50 31.72 33.47 31.81 30.73 34.05 31.65 31.23 2 0 11.48 -999 ? O3 PG4 A 132 >TYR~A 35 38.03 36.64 32.31 40.56 37.77 32.34 39.30 37.21 32.33 3 0 7.80 -999 ? O3 SO4 A 126 >TYR~A 36 38.92 33.73 36.61 39.36 36.15 37.83 39.14 34.94 37.22 3 0 -5.48 -999 ? O3 SO4 A 126s >ALA~A 37 39.39 29.70 32.20 38.22 28.91 31.59 38.81 29.31 31.89 2 0 11.68 -999 ? O4 SO4 A 128 >MET?A 38 40.63 31.89 29.36 37.32 33.52 27.20 38.98 32.70 28.28 2 0 10.90 -999 ? C3 PG4 A 132 >PHE~A 39 43.80 34.84 33.86 46.00 35.72 35.33 44.90 35.28 34.59 3 0 7.85 -999 ? O3 SO4 A 126 >HIS~A 40 44.11 29.87 35.05 44.18 30.47 37.06 44.14 30.17 36.05 3 0 10.66 -999 ? O3 SO4 A 126 >ALA~A 41 44.83 29.34 29.10 43.59 29.12 28.17 44.21 29.23 28.64 2 0 11.35 -999 ? C3 PG4 A 130 >ALA~A 42 46.44 32.67 28.07 45.81 34.07 28.26 46.12 33.37 28.17 2 0 10.48 -999 ? O2 SO4 A 127 >LYS~A 43 49.02 32.40 30.89 50.90 35.76 34.54 49.96 34.08 32.72 2 0 6.46 -999 ? O2 SO4 A 127 >ALA~A 44 49.80 28.84 29.71 48.80 27.70 29.57 49.30 28.27 29.64 2 0 11.93 -999 ? O1 PG4 A 129 >MET?A 45 50.42 30.07 26.15 47.28 30.50 23.28 48.85 30.29 24.72 2 0 11.26 -999 ? O1 PG4 A 130 >LEU~A 46 52.20 34.13 28.20 51.27 35.94 27.39 51.74 35.03 27.80 3 0 8.27 -999 ? O2 SO4 A 127 >LEU~A 47 53.96 29.63 30.68 54.94 28.56 32.27 54.45 29.09 31.48 3 0 13.10 -999 ? O1 PG4 A 129 >GLY~A 48 55.14 28.00 26.84 55.28 28.81 26.81 55.21 28.41 26.83 1 0 13.14 -999 ? O1 PG4 A 129 >TYR~A 49 54.81 30.35 22.62 53.64 28.46 20.91 54.22 29.41 21.76 3 0 15.96 -999 ? O1 PG4 A 130 >GLY~A 50 58.78 32.39 27.10 58.10 32.69 26.93 58.44 32.54 27.02 1 0 13.14 -999 ? O2 SO4 A 127 >ARG~A 51 56.86 37.50 25.28 57.29 39.91 23.39 57.07 38.70 24.34 2 0 10.02 -999 ? O1 SO4 A 127 >ASP~A 52 56.15 36.32 32.34 55.19 36.04 34.23 55.67 36.18 33.29 2 0 7.05 -999 ? O3 SO4 A 127 >SER~A 53 52.56 39.00 32.58 50.56 37.70 32.19 51.56 38.35 32.38 2 0 -4.25 -999 ? O2 SO4 A 127s >LYS~A 54 51.40 40.31 35.98 57.55 41.57 37.22 54.47 40.94 36.60 2 0 -5.69 -999 ? O3 SO4 A 127s >THR~A 55 48.06 41.98 35.06 48.93 43.96 34.67 48.49 42.97 34.87 2 0 -2.68 -999 ? O4 SO4 A 127s >HIS~A 56 43.00 40.60 34.78 42.37 39.31 36.31 42.69 39.96 35.54 3 0 -4.05 -999 ? O1 SO4 A 126s >ARG~A 57 43.69 47.31 31.68 45.82 49.11 30.36 44.75 48.21 31.02 2 0 -7.93 -999 ? O4 SO4 A 127s >GLY~A 58 49.12 43.06 30.36 48.43 42.61 30.26 48.77 42.84 30.31 1 0 3.35 -999 ? O2 SO4 A 127s >THR~A 59 48.20 39.44 29.61 47.75 37.78 30.89 47.97 38.61 30.25 2 0 5.70 -999 ? O2 SO4 A 127 >ILE~A 60 44.26 41.26 27.34 42.96 41.45 27.62 43.61 41.36 27.48 3 0 9.28 -999 ? O2 SO4 A 127 >TYR~A 61 47.31 45.23 25.46 45.30 47.13 25.21 46.31 46.18 25.33 3 0 9.43 -999 ? O1 SO4 A 127s >LEU~A 62 51.44 39.51 26.29 53.33 40.03 27.21 52.39 39.77 26.75 3 0 6.15 -999 ? O1 SO4 A 127 >ILE~A 63 47.01 37.11 24.24 47.10 35.63 24.07 47.05 36.37 24.15 3 0 10.87 -999 ? O2 SO4 A 127 >TRP~A 64 44.61 41.82 22.37 42.88 41.76 18.84 43.75 41.79 20.60 3 0 -12.91 -999 ? O3 PG4 A 131s >GLU~A 65 51.86 42.99 21.62 53.08 43.74 23.21 52.47 43.36 22.41 2 0 8.40 -999 ? O1 SO4 A 127 >CYH~A 66 51.99 37.22 20.00 53.59 37.29 22.27 52.79 37.25 21.13 2 0 11.25 -999 ? O1 SO4 A 127 >ARG~A 67 46.54 38.76 16.52 47.59 41.53 15.62 47.07 40.15 16.07 2 0 12.70 -999 ? O3 PG4 A 131 >GLU~A 68 50.80 37.21 13.62 49.75 37.12 11.79 50.28 37.16 12.71 2 0 12.28 -999 ? O3 PG4 A 131 >GLU~A 69 55.03 34.36 17.12 54.38 36.32 17.62 54.71 35.34 17.37 2 0 15.80 -999 ? O1 SO4 A 127 >LEU~A 70 49.64 32.19 20.05 50.59 32.48 21.98 50.11 32.33 21.01 3 0 13.29 -999 ? O1 PG4 A 130 >GLY~A 71 47.93 30.50 16.03 47.76 31.04 16.61 47.85 30.77 16.32 1 0 9.84 -999 ? O1 PG4 A 130 >LEU~A 72 45.34 33.57 18.66 45.35 32.62 20.60 45.35 33.09 19.63 3 0 9.94 -999 ? O1 PG4 A 131 >SER~A 73 42.99 34.85 15.03 40.66 34.27 15.42 41.83 34.56 15.23 2 0 4.57 -999 ? O3 PG4 A 131 >ASP~A 74 41.88 39.55 14.70 43.66 40.21 13.76 42.77 39.88 14.23 2 0 8.50 -999 ? O3 PG4 A 131 >ASP~A 75 37.61 36.34 15.99 35.72 36.25 17.05 36.66 36.29 16.52 2 0 4.16 -999 ? C1 PG4 A 131s >ASP~A 76 41.33 33.70 18.96 40.64 32.10 17.77 40.99 32.90 18.37 2 0 4.82 -999 ? O1 PG4 A 131 >CYH~A 77 42.11 37.71 20.78 44.64 37.52 19.69 43.38 37.62 20.23 2 0 10.86 -999 ? O3 PG4 A 131 >SER~A 78 38.88 39.70 20.88 38.87 41.08 18.93 38.87 40.39 19.90 2 0 -9.14 -999 ? C3 PG4 A 131s >LYS~A 79 37.20 36.75 22.67 37.03 33.04 18.49 37.11 34.90 20.58 2 0 2.71 -999 ? O1 PG4 A 131s >LEU~A 80 41.14 37.11 25.54 42.50 36.55 27.14 41.82 36.83 26.34 3 0 12.45 -999 ? O2 SO4 A 127 >SER~A 81 39.23 41.15 25.66 40.80 42.02 24.01 40.01 41.58 24.83 2 0 -13.02 -999 ? O2 PG4 A 132s >ARG~A 82 32.13 40.15 23.79 30.88 37.89 22.12 31.50 39.02 22.95 2 0 3.04 -999 ? O2 PG4 A 132s >ALA~A 83 35.31 38.10 28.23 35.94 36.70 28.12 35.63 37.40 28.17 2 0 10.38 -999 ? O2 PG4 A 132 >PHE~A 84 39.33 41.72 31.41 40.20 43.36 33.51 39.76 42.54 32.46 3 0 7.28 -999 ? O1 SO4 A 126 >ASP~A 85 34.92 44.08 28.75 36.69 45.06 28.08 35.81 44.57 28.41 2 0 -12.49 -999 ? O2 SO4 A 126s >LEU~A 86 31.56 40.05 29.84 29.44 39.57 29.75 30.50 39.81 29.79 3 0 10.70 -999 ? O2 PG4 A 132 >ARG~A 87 36.47 39.26 35.70 38.03 39.84 38.24 37.25 39.55 36.97 2 0 -3.03 -999 ? O3 SO4 A 126s >GLU~A 88 36.60 43.87 34.31 37.68 44.12 36.11 37.14 43.99 35.21 2 0 4.80 -999 ? O2 SO4 A 126 >GLU~A 89 28.36 44.37 33.71 28.23 46.26 34.67 28.30 45.31 34.19 2 0 13.40 -999 ? O2 SO4 A 126 >SER~A 90 29.64 40.37 36.32 29.39 38.77 34.51 29.52 39.57 35.41 2 0 12.04 -999 ? O2 SO4 A 126 >ASP~A 91 33.39 40.17 39.33 33.45 38.05 38.95 33.42 39.11 39.14 2 0 7.42 -999 ? O2 SO4 A 126 >TYR~A 92 34.72 44.37 40.00 36.87 42.92 41.02 35.80 43.64 40.51 3 0 -4.50 -999 ? O2 SO4 A 126s >GLY~A 93 29.16 46.06 38.12 29.13 45.54 38.77 29.14 45.80 38.44 1 0 11.59 -999 ? O2 SO4 A 126 >ILE~A 94 26.28 47.69 41.38 27.16 48.56 42.23 26.72 48.13 41.81 3 0 14.70 -999 ? O2 SO4 A 126 >TYR~A 95 24.29 50.57 37.59 25.24 52.64 39.22 24.76 51.61 38.41 3 0 18.02 -999 ? O2 SO4 A 126 >GLU~A 97 20.86 41.88 36.77 19.77 40.38 37.79 20.31 41.13 37.28 2 0 19.00 -999 ? C8 PG4 A 132 >VAL~A 98 23.86 39.52 32.34 25.94 38.90 32.23 24.90 39.21 32.28 3 0 13.00 -999 ? C6 PG4 A 132 >SER~A 99 21.43 37.66 30.09 21.91 38.24 27.80 21.67 37.95 28.94 2 0 9.51 -999 ? C8 PG4 A 132 >LYS~A 100 21.37 33.96 29.25 17.70 28.83 28.40 19.54 31.40 28.83 2 0 7.53 -999 ? O3 PG4 A 133 >ASP~A 101 21.49 36.05 24.90 22.53 36.89 23.25 22.01 36.47 24.07 2 0 -5.95 -999 ? C8 PG4 A 132s >LEU~A 102 25.58 38.07 27.67 26.45 39.95 27.10 26.02 39.01 27.38 3 0 8.93 -999 ? C2 PG4 A 132 >ALA~A 103 26.59 34.08 29.07 25.84 33.58 30.30 26.22 33.83 29.69 2 0 8.99 -999 ? C6 PG4 A 132 >ILE~A 104 24.97 30.88 25.73 24.25 30.20 24.80 24.61 30.54 25.27 3 0 -4.05 -999 ? C7 PG4 A 132s >LYS~A 105 28.33 33.57 24.03 25.98 38.64 20.89 27.16 36.10 22.46 2 0 -3.15 -999 ? O1 PG4 A 132s >ILE~A 106 31.20 34.72 27.83 32.08 35.68 27.41 31.64 35.20 27.62 3 0 8.04 -999 ? O3 PG4 A 132 >LEU~A 107 29.72 29.50 27.92 29.66 27.80 29.22 29.69 28.65 28.57 3 0 -8.60 -999 ? C6 PG4 A 132s >LYS~A 108 31.34 29.13 23.81 25.79 27.84 20.94 28.57 28.48 22.38 2 0 -2.99 -999 ? C1 PG4 A 133s >ASP~A 109 34.17 33.08 23.66 33.42 34.24 22.06 33.80 33.66 22.86 2 0 -4.51 -999 ? C3 PG4 A 132s >ALA~A 110 35.96 30.05 26.42 35.42 29.98 27.89 35.69 30.02 27.16 2 0 9.32 -999 ? C3 PG4 A 130 >GLU~A 111 33.37 25.34 25.46 31.77 24.32 24.48 32.57 24.83 24.97 2 0 5.40 -999 ? C4 PG4 A 130s >ILE~A 112 36.49 28.68 20.65 35.89 29.02 19.40 36.19 28.85 20.03 3 0 -4.45 -999 ? C2 PG4 A 130s >PHE~A 113 40.89 31.86 24.39 43.20 33.32 24.85 42.04 32.59 24.62 3 0 10.28 -999 ? O1 PG4 A 131 >VAL~A 114 40.90 27.06 25.75 40.35 26.53 27.76 40.63 26.80 26.76 3 0 7.68 -999 ? O3 PG4 A 130 >GLN~A 115 40.30 22.87 21.05 41.00 21.11 21.97 40.65 21.99 21.51 2 0 -4.38 -999 ? C6 PG4 A 130s >LYS~A 116 43.22 26.75 20.87 41.96 30.23 15.94 42.59 28.49 18.41 2 0 5.49 -999 ? O1 PG4 A 130 >ALA~A 117 45.51 27.30 23.84 45.07 27.86 25.20 45.29 27.58 24.52 2 0 9.94 -999 ? C1 PG4 A 130 >LYS~A 118 45.83 23.54 24.31 41.48 20.06 26.33 43.65 21.80 25.32 2 0 4.57 -999 ? O2 SO4 A 128 >ASN~A 119 45.90 23.70 19.44 44.01 22.70 19.17 44.96 23.20 19.30 2 0 -5.30 -999 ? C1 PG4 A 130s >ALA~A 120 49.40 25.95 20.91 49.12 27.41 21.28 49.26 26.68 21.09 2 0 10.71 -999 ? O1 PG4 A 130 >VAL~A 121 51.17 24.43 23.93 50.17 25.35 25.62 50.67 24.89 24.78 3 0 11.05 -999 ? O1 PG4 A 129 >ASN~A 122 52.27 20.36 22.49 53.16 21.35 20.82 52.71 20.86 21.66 2 0 12.06 -999 ? O1 PG4 A 129 >LYS~A 123 48.39 19.84 25.49 51.48 18.92 29.99 49.93 19.38 27.74 2 0 -3.11 -999 ? O1 PG4 A 129s >ASN~A 124 45.21 19.28 21.83 46.60 18.90 20.28 45.90 19.09 21.06 2 0 9.58 -999 ? C1 PG4 A 130 >ARG~A 125 50.66 16.08 24.10 50.57 14.20 21.63 50.62 15.14 22.87 2 0 -10.02 -999 ? C1 PG4 A 129s