REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUN-04 1TSJ COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 46170; SOURCE 4 STRAIN: SUBSP. AUREUS; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26B AUTHOR T.MIN,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 11 8 HET MSE A 35 8 HET MSE A 62 8 HET MSE A 90 8 HET MSE A 105 8 HET MSE A 110 8 >MET.A 1 54.73 -1.23 -10.69 57.07 -2.31 -12.89 55.90 -1.77 -11.79 2 0 1000.00 -999 ? >ASP.A 2 51.74 2.10 -11.83 49.98 1.14 -12.45 50.86 1.62 -12.14 2 0 1000.00 -999 ? >ILE.A 3 51.66 2.41 -5.93 52.79 2.80 -5.21 52.22 2.61 -5.57 3 0 1000.00 -999 ? >PRO.A 4 46.77 1.82 -5.60 47.84 3.35 -6.76 47.30 2.59 -6.18 3 0 1000.00 -999 ? >ILE^A 6 43.98 6.20 -2.02 43.01 7.02 -1.46 43.50 6.61 -1.74 3 0 1000.00 -999 ? >THR^A 7 46.91 2.55 -1.13 48.79 1.81 -1.90 47.85 2.18 -1.52 2 0 1000.00 -999 ? >THR^A 8 45.53 0.64 1.88 43.72 -0.36 2.23 44.62 0.14 2.06 2 0 1000.00 -999 ? >PHE^A 9 50.55 1.82 4.57 53.36 1.84 4.94 51.95 1.83 4.76 3 0 1000.00 -999 ? >LEU^A 10 48.28 -3.74 6.46 47.11 -4.35 4.85 47.69 -4.05 5.65 3 0 1000.00 -999 ? >MET?A 11 50.98 -2.09 9.73 51.89 2.08 10.80 51.43 0.00 10.26 2 0 1000.00 -999 ? >PHE^A 12 51.04 -6.63 10.01 49.40 -6.86 7.81 50.22 -6.74 8.91 3 0 1000.00 -999 ? >ASN^A 13 53.22 -6.80 16.13 52.11 -5.65 17.63 52.66 -6.23 16.88 2 0 1000.00 -999 ? >ASN^A 14 57.53 -8.26 14.47 58.08 -6.51 15.53 57.80 -7.39 15.00 2 0 1000.00 -999 ? >GLN^A 15 53.04 -10.54 13.87 51.15 -11.17 14.68 52.09 -10.85 14.28 2 0 1000.00 -999 ? >ALA^A 16 54.12 -8.50 8.14 54.81 -7.17 7.75 54.47 -7.83 7.95 2 0 1000.00 -999 ? >GLU^A 17 57.90 -12.60 5.50 60.05 -12.89 5.50 58.98 -12.75 5.50 2 0 1000.00 -999 ? >GLU^A 18 54.49 -13.85 10.10 53.99 -13.97 12.26 54.24 -13.91 11.18 2 0 1000.00 -999 ? >ALA^A 19 50.39 -11.55 7.04 50.25 -10.18 7.48 50.32 -10.87 7.26 2 0 1000.00 -999 ? >VAL^A 20 51.51 -10.86 3.48 52.91 -9.61 2.53 52.21 -10.24 3.00 3 0 1000.00 -999 ? >LYS^A 21 52.33 -14.60 2.95 51.65 -19.27 5.40 51.99 -16.93 4.18 2 0 1000.00 -999 ? >LEU^A 22 48.41 -15.05 5.62 46.67 -16.05 6.61 47.54 -15.55 6.12 3 0 1000.00 -999 ? >TYR^A 23 46.54 -11.11 3.65 46.11 -10.30 6.27 46.33 -10.70 4.96 3 0 1000.00 -999 ? >THR^A 24 49.01 -13.54 -1.10 51.15 -12.94 -1.65 50.08 -13.24 -1.37 2 0 1000.00 -999 ? >SER^A 25 48.43 -17.38 -0.73 50.39 -17.92 0.56 49.41 -17.65 -0.08 2 0 1000.00 -999 ? >LEU^A 26 43.98 -16.44 0.72 43.69 -17.26 2.61 43.83 -16.85 1.67 3 0 1000.00 -999 ? >PHE^A 27 42.97 -12.49 -1.54 41.56 -11.82 0.74 42.26 -12.15 -0.40 3 0 1000.00 -999 ? >GLU^A 28 42.08 -16.67 -7.23 40.72 -17.05 -8.89 41.40 -16.86 -8.06 2 0 1000.00 -999 ? >ASP^A 29 44.96 -12.00 -9.76 46.19 -10.73 -10.92 45.57 -11.36 -10.34 2 0 1000.00 -999 ? >SER^A 30 48.18 -11.83 -6.10 47.60 -13.09 -4.31 47.89 -12.46 -5.20 2 0 1000.00 -999 ? >GLU^A 31 53.80 -11.64 -7.19 54.54 -11.24 -9.14 54.17 -11.44 -8.16 2 0 1000.00 -999 ? >ILE^A 32 55.45 -10.81 -2.38 55.91 -10.99 -1.00 55.68 -10.90 -1.69 3 0 1000.00 -999 ? >ILE^A 33 55.40 -6.50 -6.55 55.44 -5.66 -6.77 55.42 -6.08 -6.66 3 0 1000.00 -999 ? >THR^A 34 58.64 -5.84 -2.96 59.02 -3.58 -3.24 58.83 -4.71 -3.10 2 0 1000.00 -999 ? >MET?A 35 59.85 -6.73 0.40 58.48 -9.50 2.90 59.17 -8.12 1.65 2 0 1000.00 -999 ? >ALA^A 36 62.55 -4.94 2.30 62.86 -3.57 1.91 62.70 -4.26 2.10 2 0 1000.00 -999 ? >LYS^A 37 63.60 -5.98 5.78 62.06 -11.07 6.39 62.83 -8.52 6.08 2 0 1000.00 -999 ? >TYR^A 38 63.79 -2.62 9.74 61.88 -0.75 9.63 62.83 -1.68 9.68 3 0 1000.00 -999 ? >GLY^A 39 69.27 -4.53 8.57 68.75 -4.47 9.22 69.01 -4.50 8.89 1 0 1000.00 -999 ? >ASP^A 45 62.73 -5.40 14.99 62.38 -5.12 17.10 62.56 -5.26 16.04 2 0 1000.00 -999 ? >PRO^A 46 67.45 -7.11 14.06 65.72 -6.50 12.67 66.58 -6.80 13.37 3 0 1000.00 -999 ? >GLY^A 47 64.32 -9.26 9.80 63.98 -8.48 9.98 64.15 -8.87 9.89 1 0 1000.00 -999 ? >THR^A 48 61.21 -7.16 10.11 60.14 -6.26 11.71 60.67 -6.71 10.91 2 0 1000.00 -999 ? >VAL^A 49 59.49 -5.66 7.03 58.08 -6.43 5.69 58.78 -6.05 6.36 3 0 1000.00 -999 ? >GLN^A 50 62.09 -0.17 5.63 64.28 -0.01 5.15 63.19 -0.09 5.39 2 0 1000.00 -999 ? >HIS^A 51 58.73 -0.36 1.00 57.88 0.38 -0.80 58.30 0.01 0.10 3 0 1000.00 -999 ? >SER^A 52 56.29 -4.41 1.22 55.58 -6.83 1.24 55.94 -5.62 1.23 2 0 1000.00 -999 ? >ILE^A 53 54.69 -3.02 -2.92 54.66 -1.84 -3.67 54.67 -2.43 -3.29 3 0 1000.00 -999 ? >PHE^A 54 51.09 -7.34 -0.42 49.39 -6.67 1.67 50.24 -7.00 0.63 3 0 1000.00 -999 ? >THR^A 55 48.99 -7.58 -4.93 49.14 -7.53 -7.06 49.06 -7.56 -6.00 2 0 1000.00 -999 ? >LEU^A 56 44.94 -8.86 -2.68 45.77 -9.36 -0.69 45.36 -9.11 -1.69 3 0 1000.00 -999 ? >ASN^A 57 41.97 -9.51 -6.57 41.37 -11.35 -5.65 41.67 -10.43 -6.11 2 0 1000.00 -999 ? >GLY^A 58 45.62 -7.39 -8.95 45.33 -7.23 -8.23 45.47 -7.31 -8.59 1 0 1000.00 -999 ? >GLN^A 59 42.72 -4.57 -6.41 40.84 -4.76 -5.43 41.78 -4.67 -5.92 2 0 1000.00 -999 ? >VAL^A 60 48.12 -2.96 -4.72 49.70 -2.02 -5.72 48.91 -2.49 -5.22 3 0 1000.00 -999 ? >PHE^A 61 46.45 -4.48 -0.61 43.66 -4.68 -1.16 45.05 -4.58 -0.89 3 0 1000.00 -999 ? >MET?A 62 51.39 -2.24 1.23 52.44 1.81 0.28 51.92 -0.22 0.76 2 0 1000.00 -999 ? >ALA^A 63 52.41 -3.62 4.58 52.07 -5.07 4.74 52.24 -4.35 4.66 2 0 1000.00 -999 ? >ILE^A 64 55.67 -1.46 7.14 55.39 -0.02 7.04 55.53 -0.74 7.09 3 0 1000.00 -999 ? >PRO^A 77 46.33 3.37 13.33 47.62 1.88 11.88 46.98 2.62 12.61 3 0 1000.00 -999 ? >ILE^A 78 44.56 -0.93 8.92 43.14 -1.38 8.56 43.85 -1.15 8.74 3 0 1000.00 -999 ? >SER^A 79 45.94 3.57 7.13 48.34 4.22 7.05 47.14 3.89 7.09 2 0 1000.00 -999 ? >LEU^A 80 44.34 5.93 3.29 42.34 4.94 3.16 43.34 5.44 3.23 3 0 1000.00 -999 ? >PHE^A 81 51.14 5.18 1.42 53.58 6.03 0.59 52.36 5.61 1.01 3 0 1000.00 -999 ? >VAL^A 82 48.34 8.79 -0.35 46.42 10.05 -0.19 47.38 9.42 -0.27 3 0 1000.00 -999 ? >THR^A 83 50.79 9.48 -3.11 51.92 8.18 -4.33 51.35 8.83 -3.72 2 0 1000.00 -999 ? >VAL^A 84 50.57 13.24 -3.57 50.24 14.52 -1.83 50.41 13.88 -2.70 3 0 1000.00 -999 ? >ASP^A 86 51.52 19.28 -6.40 51.34 19.21 -8.58 51.43 19.24 -7.49 2 0 1000.00 -999 ? >ILE^A 88 49.79 22.70 -4.74 50.46 23.33 -5.29 50.13 23.02 -5.02 3 0 1000.00 -999 ? >MET?A 90 50.10 18.17 0.05 52.35 16.06 1.97 51.22 17.11 1.01 2 0 1000.00 -999 ? >GLU^A 91 50.52 23.65 1.14 50.55 24.06 3.25 50.53 23.85 2.19 2 0 1000.00 -999 ? >ARG^A 92 44.31 22.11 -3.06 45.12 23.20 -6.03 44.72 22.65 -4.55 2 0 1000.00 -999 ? >LEU^A 93 45.60 16.13 1.25 45.21 15.30 -0.59 45.40 15.72 0.33 3 0 1000.00 -999 ? >PHE^A 94 49.35 18.51 6.29 50.26 18.52 8.89 49.81 18.52 7.59 3 0 1000.00 -999 ? >ASN^A 95 45.33 22.48 5.25 47.29 23.41 5.01 46.31 22.94 5.13 2 0 1000.00 -999 ? >GLY^A 96 41.93 19.43 5.08 42.49 19.18 5.61 42.21 19.31 5.35 1 0 1000.00 -999 ? >LEU^A 97 43.34 15.19 6.51 42.77 13.91 4.87 43.06 14.55 5.69 3 0 1000.00 -999 ? >LYS^A 98 44.45 17.79 9.99 47.27 21.51 8.81 45.86 19.65 9.40 2 0 1000.00 -999 ? >ASP^A 99 40.11 19.95 10.36 38.95 21.54 11.27 39.53 20.74 10.82 2 0 1000.00 -999 ? >GLY^A 101 42.87 15.90 13.88 43.14 16.49 14.30 43.00 16.20 14.09 1 0 1000.00 -999 ? >ALA^A 102 45.99 14.40 15.23 46.11 13.13 16.09 46.05 13.77 15.66 2 0 1000.00 -999 ? >ILE^A 103 49.83 16.30 13.48 49.81 17.34 13.12 49.82 16.82 13.30 3 0 1000.00 -999 ? >LEU^A 104 50.77 10.40 13.45 48.59 9.67 14.00 49.68 10.04 13.73 3 0 1000.00 -999 ? >MET?A 105 54.00 13.31 11.93 56.72 11.28 9.61 55.36 12.30 10.77 2 0 1000.00 -999 ? >PRO^A 106 55.71 17.34 11.94 54.23 16.16 10.74 54.97 16.75 11.34 3 0 1000.00 -999 ? >LYS^A 107 55.25 17.83 6.97 52.15 22.57 6.87 53.70 20.20 6.92 2 0 1000.00 -999 ? >THR^A 108 58.79 16.53 6.84 59.18 15.53 8.74 58.99 16.03 7.79 2 0 1000.00 -999 ? >ASN^A 109 62.38 17.21 3.81 63.63 16.69 2.11 63.00 16.95 2.96 2 0 1000.00 -999 ? >MET?A 110 62.07 12.52 4.43 59.98 9.86 6.86 61.02 11.19 5.65 2 0 1000.00 -999 ? >PRO^A 111 65.78 12.21 2.29 63.88 11.07 2.46 64.83 11.64 2.37 3 0 1000.00 -999 ? >PRO^A 112 61.78 6.95 -0.08 63.12 8.69 0.40 62.45 7.82 0.16 3 0 1000.00 -999 ? >TYR^A 113 58.56 9.77 0.65 57.60 7.22 0.30 58.08 8.50 0.47 3 0 1000.00 -999 ? >GLU^A 115 56.39 17.42 2.67 55.91 19.49 2.06 56.15 18.45 2.37 2 0 1000.00 -999 ? >PHE^A 116 56.01 10.87 4.99 54.51 8.71 6.03 55.26 9.79 5.51 3 0 1000.00 -999 ? >ALA^A 117 53.19 13.59 6.64 52.46 14.88 6.45 52.83 14.24 6.54 2 0 1000.00 -999 ? >TRP^A 118 49.86 8.99 9.28 51.70 5.93 11.12 50.78 7.46 10.20 3 0 1000.00 -999 ? >VAL^A 119 47.65 12.67 9.98 47.02 14.68 9.15 47.34 13.67 9.57 3 0 1000.00 -999 ? >GLN^A 120 43.68 9.91 13.53 44.35 8.68 15.13 44.01 9.30 14.33 2 0 1000.00 -999 ? >ASP^A 121 40.85 12.92 9.58 39.85 11.04 9.58 40.35 11.98 9.58 2 0 1000.00 -999 ? >LYS^A 122 38.87 14.00 13.29 35.97 18.49 10.16 37.42 16.25 11.72 2 0 1000.00 -999 ? >PHE^A 123 35.67 11.45 10.95 34.31 13.61 10.06 34.99 12.53 10.50 3 0 1000.00 -999 ? >GLY^A 124 39.98 8.61 13.31 39.93 8.83 12.63 39.96 8.72 12.97 1 0 1000.00 -999 ? >VAL^A 125 41.22 7.45 9.91 39.91 7.00 8.17 40.57 7.23 9.04 3 0 1000.00 -999 ? >SER^A 126 44.99 7.59 9.24 46.01 6.50 11.13 45.50 7.04 10.18 2 0 1000.00 -999 ? >PHE^A 127 44.13 10.26 5.36 41.53 9.73 4.86 42.83 10.00 5.11 3 0 1000.00 -999 ? >GLN^A 128 50.72 7.13 6.21 51.97 5.37 6.33 51.34 6.25 6.27 2 0 1000.00 -999 ? >LEU^A 129 50.28 13.20 2.87 48.21 13.71 3.59 49.25 13.46 3.23 3 0 1000.00 -999 ? >ALA^A 130 53.79 11.06 0.59 54.06 9.55 0.47 53.92 10.31 0.53 2 0 1000.00 -999 ? >LEU^A 131 55.73 14.77 -1.68 56.07 16.33 -3.05 55.90 15.55 -2.36 3 0 1000.00 -999 ? >PRO^A 132 55.86 10.47 -5.13 57.27 11.68 -3.84 56.57 11.07 -4.48 3 0 1000.00 -999 ?