REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS/UNKNOWN FUNCTION 06-OCT-06 2INB COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; SOURCE 3 ORGANISM_TAXID: 63737; SOURCE 4 STRAIN: PCC 73102; SOURCE 5 GENE: ZP_00107633.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 116 16 HET MSE A 124 16 HET CL A 140 1 HET GOL A 141 12 HET GOL A 142 6 SITE 1 AC1 5 LEU A 101 THR A 102 VAL A 129 HOH A 167 SITE 1 AC2 10 LYS A 17 ARG A 87 VAL A 94 LEU A 95 SITE 1 AC3 5 TRP A 20 ARG A 50 GLU A 53 TRP A 137 >VAL~A 6 15.53 57.36 10.74 15.06 59.27 9.79 15.29 58.32 10.26 3 0 12.59 -999 ? CL CL A 140 >PHE~A 7 13.99 54.56 6.65 13.56 56.25 4.47 13.78 55.41 5.56 3 0 8.41 -999 ? CL CL A 140 >HIS~A 8 16.68 51.17 13.69 17.05 49.63 15.07 16.86 50.40 14.38 3 0 16.34 -999 ? CL CL A 140 >GLN~A 9 12.52 56.88 15.46 12.59 56.48 17.56 12.55 56.68 16.51 2 0 16.23 -999 ? CL CL A 140 >VAL~A 10 10.09 54.60 12.14 9.54 55.36 10.12 9.82 54.98 11.13 3 0 9.11 -999 ? CL CL A 140 >VAL~A 11 9.83 50.80 12.42 10.49 49.13 11.19 10.16 49.96 11.81 3 0 10.76 -999 ? CL CL A 140 >ILE~A 13 7.51 54.94 15.74 7.12 55.84 16.82 7.31 55.39 16.28 3 0 13.45 -999 ? CL CL A 140 >ALA~A 14 5.21 51.43 14.19 5.47 51.05 12.73 5.34 51.24 13.46 2 0 10.31 -999 ? CL CL A 140 >LEU~A 15 7.17 47.65 16.53 8.03 45.96 15.48 7.60 46.80 16.01 3 0 9.40 -999 ? O2 GOL A 142 >GLU~A 16 7.36 50.84 20.51 8.83 52.30 20.86 8.10 51.57 20.69 2 0 16.08 -999 ? O2 GOL A 142 >LYS~A 17 1.88 51.59 18.22 2.32 56.53 14.31 2.10 54.06 16.26 2 0 -12.09 -999 ? CL CL A 140s >ASP~A 18 1.14 47.15 16.41 0.05 47.65 14.65 0.60 47.40 15.53 2 0 8.02 -999 ? C3 GOL A 142 >GLY.A 19 1.67 47.13 21.26 2.16 46.96 20.70 1.91 47.04 20.98 1 0 10.18 -999 ? C3 GOL A 142 >TRP.A 20 3.82 44.87 17.55 4.56 40.98 17.60 4.19 42.92 17.58 3 0 -5.35 -999 ? O2 GOL A 142s >GLN^A 21 8.85 45.19 25.58 9.31 47.11 26.41 9.08 46.15 25.99 2 0 15.76 -999 ? O2 GOL A 142 >ILE^A 22 11.79 47.62 21.21 11.69 47.44 19.85 11.74 47.53 20.53 3 0 13.66 -999 ? O2 GOL A 142 >THR^A 23 13.62 44.18 23.92 12.62 42.30 23.86 13.12 43.24 23.89 2 0 13.65 -999 ? O2 GOL A 142 >ASN^A 24 17.54 42.96 21.83 17.16 41.63 23.52 17.35 42.29 22.68 2 0 15.49 -999 ? O1 AGOL A 141 >ASP.A 25 17.07 47.97 19.36 17.37 49.19 17.72 17.22 48.58 18.54 2 0 17.91 -999 ? O2 GOL A 142 >PRO.A 26 22.70 46.11 18.39 20.48 46.23 18.59 21.59 46.17 18.49 3 0 17.42 -999 ? O1 AGOL A 141 >LEU.A 27 18.45 41.24 17.91 17.81 39.29 18.56 18.13 40.26 18.24 3 0 11.39 -999 ? O1 AGOL A 141 >THR.A 28 23.07 40.46 18.59 24.22 41.66 19.97 23.64 41.06 19.28 2 0 16.89 -999 ? O1 AGOL A 141 >ILE.A 29 22.74 36.41 16.25 21.62 35.92 15.60 22.18 36.16 15.92 3 0 11.20 -999 ? O1 AGOL A 141 >SER^A 30 26.76 34.71 17.22 28.18 36.40 18.20 27.47 35.55 17.71 2 0 17.50 -999 ? O1 AGOL A 141 >VAL.A 31 26.54 31.20 15.72 24.48 30.58 15.09 25.51 30.89 15.40 3 0 13.63 -999 ? O2 BGOL A 141 >GLY.A 32 29.01 28.70 14.29 29.20 29.43 14.54 29.11 29.06 14.41 1 0 16.73 -999 ? O2 BGOL A 141 >GLY.A 33 32.16 30.84 14.65 31.47 31.20 14.45 31.81 31.02 14.55 1 0 19.86 -999 ? O2 BGOL A 141 >VAL^A 34 30.62 34.06 13.24 30.15 34.12 11.08 30.38 34.09 12.16 3 0 18.07 -999 ? O1 AGOL A 141 >ASN^A 35 29.97 38.21 15.79 28.69 39.88 16.29 29.33 39.04 16.04 2 0 18.31 -999 ? O1 AGOL A 141 >LEU.A 36 25.08 37.52 12.59 24.84 35.51 11.79 24.96 36.51 12.19 3 0 13.07 -999 ? O1 AGOL A 141 >LEU.A 45 18.33 42.18 14.11 18.22 40.58 12.73 18.28 41.38 13.42 3 0 10.31 -999 ? O1 AGOL A 141 >ILE^A 46 14.08 45.67 15.82 13.35 46.93 15.90 13.71 46.30 15.86 3 0 13.04 -999 ? O2 GOL A 142 >ALA^A 47 13.98 42.15 18.79 14.87 41.44 19.85 14.43 41.79 19.32 2 0 12.04 -999 ? O1 AGOL A 141 >ALA^A 48 10.41 42.63 19.97 9.65 43.55 19.02 10.03 43.09 19.49 2 0 9.20 -999 ? O2 GOL A 142 >GLU^A 49 8.51 40.54 24.07 9.34 39.21 25.50 8.92 39.87 24.78 2 0 12.46 -999 ? O2 GOL A 142 >ARG^A 50 1.38 42.87 20.31 -0.06 42.26 17.70 0.66 42.57 19.01 2 0 -4.45 -999 ? C3 GOL A 142s >GLU.A 51 -0.13 39.93 24.82 -0.41 40.22 26.93 -0.27 40.08 25.87 2 0 12.77 -999 ? C3 GOL A 142 >GLY.A 52 4.87 36.06 24.57 4.67 36.47 23.95 4.77 36.26 24.26 1 0 10.38 -999 ? O2 GOL A 142 >GLU^A 53 4.22 36.40 18.32 2.74 37.00 16.88 3.48 36.70 17.60 2 0 -2.80 -999 ? O2 GOL A 142s >ILE^A 55 8.85 39.29 15.82 7.63 40.16 15.75 8.24 39.72 15.78 3 0 5.22 -999 ? O2 GOL A 142 >ALA^A 56 13.01 39.82 14.98 14.29 38.92 14.81 13.65 39.37 14.90 2 0 6.93 -999 ? O1 AGOL A 141 >VAL^A 57 12.90 42.56 12.37 11.08 43.81 12.37 11.99 43.19 12.37 3 0 10.06 -999 ? O1 AGOL A 141 >GLU^A 58 16.76 42.65 7.53 17.12 41.21 6.05 16.94 41.93 6.79 2 0 10.80 -999 ? O1 AGOL A 141 >VAL^A 59 14.78 46.94 8.71 14.06 48.49 10.01 14.42 47.72 9.36 3 0 12.57 -999 ? CL CL A 140 >LYS.A 60 15.39 48.14 5.15 20.21 45.73 4.65 17.80 46.94 4.90 2 0 16.31 -999 ? O1 AGOL A 141 >SER.A 61 14.58 51.55 3.69 16.63 52.72 3.40 15.60 52.14 3.55 2 0 10.89 -999 ? CL CL A 140 >PHE.A 62 14.33 48.42 -0.52 14.60 45.64 -0.38 14.47 47.03 -0.45 3 0 11.78 -999 ? CL CL A 140 >GLU.A 64 20.02 50.53 3.07 17.99 49.96 3.04 19.01 50.25 3.05 2 0 12.89 -999 ? CL CL A 140 >SER.A 66 22.07 52.14 -5.85 22.88 50.83 -7.85 22.48 51.49 -6.85 2 0 20.47 -999 ? CL CL A 140 >SER~A 67 19.04 50.36 -7.17 20.25 48.50 -7.96 19.64 49.43 -7.57 2 0 18.98 -999 ? CL CL A 140 >ALA~A 68 16.31 48.47 -5.41 14.81 48.50 -5.75 15.56 48.49 -5.58 2 0 13.78 -999 ? CL CL A 140 >ILE~A 69 17.74 44.84 -8.43 17.93 44.05 -8.52 17.84 44.45 -8.47 3 0 19.28 -999 ? CL CL A 140 >SER~A 70 21.13 45.67 -5.49 22.09 47.85 -5.04 21.61 46.76 -5.27 2 0 19.22 -999 ? CL CL A 140 >GLU~A 71 19.33 48.96 -1.93 18.07 50.67 -2.25 18.70 49.82 -2.09 2 0 13.77 -999 ? CL CL A 140 >PHE~A 72 15.55 41.85 -3.39 14.04 39.52 -3.12 14.79 40.68 -3.26 3 0 16.70 -999 ? O1 AGOL A 141 >HIS~A 73 21.30 41.23 -5.34 20.88 41.03 -7.38 21.09 41.13 -6.36 3 0 21.39 -999 ? O1 AGOL A 141 >THR~A 74 21.89 42.14 0.34 23.34 43.66 0.88 22.61 42.90 0.61 2 0 18.52 -999 ? O1 AGOL A 141 >ALA~A 75 18.52 42.22 2.11 17.26 43.07 1.76 17.89 42.64 1.94 2 0 14.70 -999 ? O1 AGOL A 141 >LEU~A 76 17.50 38.30 -0.50 16.41 36.52 -1.15 16.95 37.41 -0.83 3 0 13.79 -999 ? O1 AGOL A 141 >GLY~A 77 21.15 37.25 1.87 20.60 37.73 2.33 20.87 37.49 2.10 1 0 13.64 -999 ? O1 AGOL A 141 >GLN~A 78 22.13 41.13 5.42 22.07 43.22 5.52 22.10 42.17 5.47 2 0 15.19 -999 ? O1 AGOL A 141 >PHE~A 79 14.98 37.14 5.37 12.67 35.95 6.47 13.82 36.55 5.92 3 0 6.66 -999 ? O1 AGOL A 141 >ILE~A 80 18.96 33.48 3.52 18.83 32.72 2.35 18.89 33.10 2.93 3 0 10.53 -999 ? O2 BGOL A 141 >ASN~A 81 22.84 34.85 6.84 24.00 34.06 5.26 23.42 34.45 6.05 2 0 13.23 -999 ? O1 AGOL A 141 >TYR~A 82 20.22 38.33 10.00 21.95 40.50 9.66 21.08 39.42 9.83 3 0 10.86 -999 ? O1 AGOL A 141 >ARG~A 83 14.09 31.84 7.62 14.09 31.38 4.63 14.09 31.61 6.12 2 0 6.22 -999 ? C3 AGOL A 141 >GLY~A 84 19.42 30.37 9.91 19.36 31.01 10.40 19.39 30.69 10.16 1 0 6.81 -999 ? O2 BGOL A 141 >ALA~A 85 21.31 31.80 12.87 22.04 33.12 12.90 21.67 32.46 12.89 2 0 9.79 -999 ? O1 AGOL A 141 >LEU~A 86 17.03 33.52 14.43 17.00 35.62 15.06 17.01 34.57 14.75 3 0 5.87 -999 ? O1 AGOL A 141 >ARG~A 87 15.80 28.05 10.65 14.47 28.09 7.94 15.14 28.07 9.30 2 0 -3.90 -999 ? O2 BGOL A 141s >ARG.A 88 20.91 25.52 14.41 20.27 24.31 11.61 20.59 24.92 13.01 2 0 9.49 -999 ? O2 BGOL A 141 >ARG.A 89 22.53 30.93 19.63 24.90 29.12 18.82 23.72 30.02 19.22 2 0 14.60 -999 ? O2 BGOL A 141 >GLN.A 90 17.22 33.77 20.14 17.01 35.82 20.65 17.11 34.80 20.40 2 0 10.64 -999 ? O1 AGOL A 141 >PRO.A 91 14.37 27.52 19.09 14.37 29.41 17.90 14.37 28.47 18.50 3 0 7.64 -999 ? O2 AGOL A 141 >GLU.A 92 9.85 28.65 19.67 8.67 27.74 21.13 9.26 28.20 20.40 2 0 9.46 -999 ? O2 AGOL A 141 >ARG^A 93 13.94 37.17 18.29 12.86 38.17 21.02 13.40 37.67 19.65 2 0 10.79 -999 ? O1 AGOL A 141 >VAL^A 94 10.20 34.76 13.95 8.25 33.97 13.23 9.23 34.36 13.59 3 0 -3.48 -999 ? C1 AGOL A 141s >LEU^A 95 13.55 36.44 10.94 15.20 37.74 10.24 14.38 37.09 10.59 3 0 -4.50 -999 ? O1 AGOL A 141s >TYR^A 96 8.31 39.43 10.40 6.36 37.67 11.39 7.34 38.55 10.89 3 0 5.50 -999 ? O2 GOL A 142 >LEU^A 97 12.28 41.33 5.13 13.52 42.41 3.65 12.90 41.87 4.39 3 0 11.23 -999 ? O1 AGOL A 141 >ALA^A 98 10.62 45.28 7.08 10.80 46.06 8.36 10.71 45.67 7.72 2 0 11.04 -999 ? CL CL A 140 >VAL^A 99 10.11 47.40 3.98 10.11 45.90 2.37 10.11 46.65 3.17 3 0 8.77 -999 ? CL CL A 140 >PRO^A 100 10.53 51.63 3.09 8.83 50.17 3.32 9.68 50.90 3.21 3 0 5.14 -999 ? CL CL A 140 >LEU~A 101 3.64 51.47 2.26 1.55 50.96 1.76 2.59 51.21 2.01 3 0 -4.60 -999 ? CL CL A 140s >THR~A 102 6.15 52.68 -1.33 7.04 54.53 -0.64 6.60 53.60 -0.99 2 0 -3.80 -999 ? CL CL A 140s >THR~A 103 8.70 49.92 -2.04 10.71 49.65 -1.27 9.71 49.78 -1.66 2 0 7.95 -999 ? CL CL A 140 >TYR~A 104 4.34 45.85 -0.25 2.63 43.68 -0.45 3.49 44.76 -0.35 3 0 10.39 -999 ? CL CL A 140 >THR~A 106 6.38 49.19 -6.63 7.12 51.17 -6.07 6.75 50.18 -6.35 2 0 9.64 -999 ? CL CL A 140 >PHE~A 107 11.80 46.15 -5.81 13.82 44.30 -6.13 12.81 45.23 -5.97 3 0 14.51 -999 ? CL CL A 140 >PHE~A 108 8.95 43.81 -2.43 11.51 43.63 -1.35 10.23 43.72 -1.89 3 0 12.45 -999 ? CL CL A 140 >GLN~A 109 3.15 45.48 -6.07 2.57 43.75 -4.94 2.86 44.61 -5.50 2 0 13.59 -999 ? CL CL A 140 >LEU~A 110 8.80 43.80 -10.22 9.15 45.77 -11.14 8.97 44.79 -10.68 3 0 16.93 -999 ? CL CL A 140 >ASP~A 111 7.12 38.96 -12.35 5.20 39.16 -13.17 6.16 39.06 -12.76 2 0 22.15 -999 ? CL CL A 140 >PHE~A 112 13.46 38.64 -10.31 15.76 37.39 -9.35 14.61 38.02 -9.83 3 0 21.46 -999 ? C3 AGOL A 141 >PRO~A 113 11.26 42.22 -7.35 11.10 40.01 -7.22 11.18 41.12 -7.29 3 0 17.54 -999 ? CL CL A 140 >GLU~A 115 9.72 33.39 -8.60 8.33 31.90 -8.15 9.02 32.65 -8.38 2 0 18.11 -999 ? O3 BGOL A 141 >MET?A 116 12.09 35.32 -4.95 14.78 34.41 -6.69 13.44 34.87 -5.82 2 0 17.50 -999 ? C3 AGOL A 141 >ILE~A 117 9.30 37.51 -1.60 9.60 38.19 -0.35 9.45 37.85 -0.98 3 0 13.26 -999 ? C3 AGOL A 141 >ALA~A 118 7.95 33.33 -2.35 6.99 33.15 -3.51 7.47 33.24 -2.93 2 0 14.24 -999 ? O3 BGOL A 141 >GLU~A 119 11.13 30.87 -5.75 12.50 30.73 -7.34 11.82 30.80 -6.54 2 0 17.11 -999 ? O3 BGOL A 141 >ASN~A 120 13.74 32.77 -0.17 15.06 32.15 -1.69 14.40 32.46 -0.93 2 0 12.44 -999 ? C3 AGOL A 141 >GLN.A 121 8.96 29.53 2.54 9.82 28.61 0.79 9.39 29.07 1.66 2 0 8.79 -999 ? O3 BGOL A 141 >VAL.A 122 10.51 35.58 3.25 12.03 36.93 2.37 11.27 36.25 2.81 3 0 9.18 -999 ? C3 AGOL A 141 >LYS.A 123 8.15 37.03 5.82 6.45 32.41 8.16 7.30 34.72 6.99 2 0 5.19 -999 ? C3 BGOL A 141 >MET?A 124 7.52 40.77 5.53 7.71 41.09 1.30 7.62 40.93 3.41 2 0 12.44 -999 ? O1 GOL A 142 >LEU.A 125 7.01 43.87 9.08 6.89 45.59 10.46 6.95 44.73 9.77 3 0 8.26 -999 ? C2 GOL A 142 >ILE.A 126 4.13 46.24 4.38 4.99 46.05 3.28 4.56 46.15 3.83 3 0 8.32 -999 ? CL CL A 140 >TYR.A 127 7.85 50.35 7.67 10.48 50.84 6.80 9.16 50.60 7.24 3 0 6.56 -999 ? CL CL A 140 >ASP.A 128 2.61 53.70 6.25 2.28 55.51 5.25 2.45 54.61 5.75 2 0 4.41 -999 ? CL CL A 140 >VAL.A 129 6.83 55.87 6.59 8.81 56.04 5.68 7.82 55.95 6.14 3 0 -4.08 -999 ? CL CL A 140s >GLU.A 130 3.08 60.87 5.84 1.11 61.00 5.02 2.10 60.93 5.43 2 0 8.45 -999 ? CL CL A 140 >GLN.A 131 0.18 58.54 8.57 0.06 60.33 9.76 0.12 59.44 9.16 2 0 -10.77 -999 ? CL CL A 140s >GLU.A 132 6.44 57.43 11.61 7.55 58.33 13.18 7.00 57.88 12.40 2 0 11.12 -999 ? CL CL A 140 >VAL^A 133 2.42 52.55 11.23 0.63 53.70 10.70 1.53 53.12 10.96 3 0 -9.18 -999 ? CL CL A 140s >ILE^A 134 2.36 47.67 11.31 3.00 46.44 11.86 2.68 47.05 11.59 3 0 7.93 -999 ? C3 GOL A 142 >PHE^A 135 -0.20 48.67 4.66 -1.88 48.13 2.52 -1.04 48.40 3.59 3 0 9.11 -999 ? CL CL A 140 >GLN^A 136 -0.30 43.10 4.77 -0.76 42.94 2.71 -0.53 43.02 3.74 2 0 10.38 -999 ? O1 GOL A 142 >TRP^A 137 1.22 42.36 11.06 4.85 42.27 12.50 3.04 42.31 11.78 3 0 -3.84 -999 ? C2 GOL A 142s >ILE^A 138 3.63 39.56 3.80 3.51 39.99 2.44 3.57 39.77 3.12 3 0 8.94 -999 ? O1 GOL A 142 >ASN.A 139 4.94 34.94 4.46 4.68 35.16 2.38 4.81 35.05 3.42 2 0 10.29 -999 ? O1 GOL A 142