REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 27-OCT-05 2ETS COMPND 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: 196620; SOURCE 4 STRAIN: MW2; SOURCE 5 GENE: NP_646154.1; 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 1 8 HET MSE A 15 8 HET MSE A 62 8 HET PO4 A 117 5 HET CL A 118 1 HET CL A 119 1 HET CL A 120 1 SITE 1 AC1 4 ASP A 43 LYS A 50 GLU A 75 HOH A 143 SITE 1 AC2 3 ASN A 63 ARG A 65 CL A 119 SITE 1 AC3 3 ARG A 85 CL A 118 HOH A 124 SITE 1 AC4 3 GLN A 99 GLN A 103 HOH A 162 >HIS~A -1 32.14 43.28 40.29 33.39 44.95 40.49 32.76 44.11 40.39 3 0 19.20 -999 ? CL CL A 120 >HIS~A 0 33.23 44.59 33.83 33.64 45.67 32.08 33.43 45.13 32.96 3 0 18.23 -999 ? O4 PO4 A 117 >MET?A 1 28.47 43.44 33.97 27.69 39.92 31.75 28.08 41.68 32.86 2 0 16.91 -999 ? CL CL A 120 >ASN~A 2 26.90 43.92 38.46 25.19 43.78 39.73 26.05 43.85 39.10 2 0 12.85 -999 ? CL CL A 120 >ASP~A 3 29.84 48.03 37.54 30.26 47.38 39.50 30.05 47.71 38.52 2 0 15.67 -999 ? CL CL A 120 >LEU~A 4 28.35 47.31 32.32 30.05 47.50 30.97 29.20 47.40 31.65 3 0 14.58 -999 ? CL CL A 120 >VAL~A 5 24.17 47.75 33.63 22.94 45.89 33.28 23.56 46.82 33.46 3 0 9.26 -999 ? CL CL A 120 >GLU~A 6 23.56 48.85 39.05 24.44 48.17 40.86 24.00 48.51 39.96 2 0 10.80 -999 ? CL CL A 120 >SER~A 7 25.79 52.51 34.85 27.65 53.56 33.83 26.72 53.04 34.34 2 0 12.35 -999 ? CL CL A 120 >LEU~A 8 22.98 51.35 31.02 24.00 50.88 29.20 23.49 51.11 30.11 3 0 9.48 -999 ? CL CL A 120 >ILE~A 9 20.11 51.63 35.65 19.23 50.68 36.32 19.67 51.16 35.98 3 0 4.09 -999 ? CL CL A 120 >TYR~A 10 23.75 57.32 36.82 24.75 59.95 36.88 24.25 58.64 36.85 3 0 11.48 -999 ? CL CL A 120 >GLU~A 11 24.92 56.97 32.02 25.43 59.04 32.04 25.17 58.00 32.03 2 0 12.99 -999 ? CL CL A 120 >VAL~A 12 18.89 56.54 31.33 17.93 54.79 30.42 18.41 55.67 30.87 3 0 6.95 -999 ? CL CL A 120 >ASN~A 13 17.89 58.01 35.89 16.83 56.29 36.51 17.36 57.15 36.20 2 0 5.35 -999 ? CL CL A 120 >ASN~A 14 21.39 61.08 33.41 22.48 62.82 33.72 21.94 61.95 33.56 2 0 13.60 -999 ? CL CL A 120 >MET?A 15 18.44 61.29 30.10 19.65 58.11 27.60 19.04 59.70 28.85 2 0 11.17 -999 ? CL CL A 120 >GLN~A 16 12.78 61.13 32.80 11.67 59.70 33.97 12.23 60.42 33.38 2 0 9.49 -999 ? CL CL A 120 >GLN~A 17 16.52 65.15 36.13 14.97 66.68 36.06 15.74 65.92 36.10 2 0 15.52 -999 ? CL CL A 120 >ASN~A 18 18.86 65.54 29.63 20.82 65.71 30.48 19.84 65.62 30.05 2 0 16.18 -999 ? CL CL A 120 >PHE~A 19 12.55 64.64 27.60 10.06 64.83 26.35 11.31 64.74 26.98 3 0 16.52 -999 ? CL CL A 120 >GLU~A 20 11.66 65.92 32.99 9.66 66.20 32.30 10.66 66.06 32.65 2 0 16.44 -999 ? CL CL A 120 >ASN~A 21 16.83 70.15 31.30 18.00 71.94 31.04 17.42 71.05 31.17 2 0 21.33 -999 ? CL CL A 120 >VAL~A 22 15.01 71.07 27.48 15.91 69.46 26.19 15.46 70.27 26.83 3 0 20.91 -999 ? CL CL A 120 >LYS~A 23 11.21 70.86 27.72 8.74 68.37 23.66 9.98 69.62 25.69 2 0 21.92 -999 ? CL CL A 120 >SER~A 24 10.77 73.36 30.62 12.36 72.53 32.31 11.57 72.95 31.46 2 0 21.81 -999 ? CL CL A 120 >GLN~A 25 15.42 75.29 30.76 17.51 74.82 30.90 16.46 75.06 30.83 2 0 24.13 -999 ? CL CL A 120 >GLN~A 26 9.78 75.62 25.74 9.34 74.20 24.24 9.56 74.91 24.99 2 0 26.33 -999 ? CL CL A 120 >GLN.A 27 17.76 77.09 24.47 18.99 78.43 25.54 18.38 77.76 25.01 2 0 29.16 -999 ? CL CL A 120 >ASP.A 28 18.14 72.58 21.19 16.46 72.02 20.10 17.30 72.30 20.65 2 0 22.67 -999 ? O2 PO4 A 117 >HIS.A 29 21.06 70.36 26.32 20.11 69.87 28.12 20.58 70.12 27.22 3 0 21.20 -999 ? CL CL A 120 >ASP.A 30 25.50 73.68 22.77 26.88 74.04 21.22 26.19 73.86 22.00 2 0 23.24 -999 ? O4 PO4 A 117 >PHE.A 31 25.42 68.83 17.69 25.97 66.27 16.67 25.69 67.55 17.18 3 0 16.26 -999 ? O1 PO4 A 117 >TYR.A 32 29.79 70.89 17.73 29.28 70.31 15.04 29.54 70.60 16.39 3 0 19.68 -999 ? O1 PO4 A 117 >GLN.A 33 30.02 73.83 23.61 32.10 73.42 23.81 31.06 73.63 23.71 2 0 24.02 -999 ? O4 PO4 A 117 >THR~A 34 26.74 69.04 25.18 25.20 69.99 26.40 25.97 69.52 25.79 2 0 20.86 -999 ? O4 PO4 A 117 >VAL~A 35 25.14 66.50 22.78 23.32 66.66 21.58 24.23 66.58 22.18 3 0 16.22 -999 ? O4 PO4 A 117 >LYS~A 36 28.21 65.11 21.01 33.45 65.09 18.16 30.83 65.10 19.59 2 0 15.96 -999 ? O4 PO4 A 117 >PRO~A 37 30.60 66.95 24.23 29.90 64.88 23.63 30.25 65.92 23.93 3 0 16.73 -999 ? O4 PO4 A 117 >TYR~A 38 25.09 62.83 27.11 23.53 61.18 28.72 24.31 62.01 27.91 3 0 15.11 -999 ? O4 PO4 A 117 >THR~A 39 26.36 60.57 23.17 25.63 61.70 21.53 26.00 61.13 22.35 2 0 11.31 -999 ? O4 PO4 A 117 >GLU~A 40 31.06 61.01 20.92 32.72 62.17 20.33 31.89 61.59 20.63 2 0 13.36 -999 ? O4 PO4 A 117 >HIS~A 41 29.64 59.22 28.97 29.26 58.36 30.85 29.45 58.79 29.91 3 0 15.01 -999 ? O4 PO4 A 117 >ILE~A 42 25.70 57.18 25.71 24.93 56.86 26.85 25.32 57.02 26.28 3 0 10.55 -999 ? O4 PO4 A 117 >ASP~A 43 29.23 55.63 21.79 27.69 56.54 20.65 28.46 56.09 21.22 2 0 -6.54 -999 ? O4 PO4 A 117s >ILE~A 45 28.43 52.94 28.75 27.91 53.35 30.02 28.17 53.14 29.39 3 0 12.26 -999 ? O4 PO4 A 117 >LEU~A 46 26.64 51.17 24.04 24.56 51.73 24.61 25.60 51.45 24.32 3 0 6.79 -999 ? O4 PO4 A 117 >ASN~A 47 31.93 50.31 22.93 31.51 51.44 21.18 31.72 50.87 22.06 2 0 6.80 -999 ? O4 PO4 A 117 >ILE~A 49 27.08 46.74 27.60 25.81 46.81 27.96 26.45 46.77 27.78 3 0 11.14 -999 ? O4 PO4 A 117 >LYS~A 50 28.55 44.76 23.55 27.19 49.08 19.08 27.87 46.92 21.32 2 0 -2.92 -999 ? O4 PO4 A 117s >LEU~A 51 32.93 43.44 25.25 34.53 44.59 24.24 33.73 44.01 24.75 3 0 12.88 -999 ? O4 PO4 A 117 >HIS~A 52 30.17 41.78 29.04 31.87 42.27 30.16 31.02 42.03 29.60 3 0 15.99 -999 ? O4 PO4 A 117 >ARG~A 53 25.80 40.29 20.33 24.90 37.48 19.35 25.35 38.89 19.84 2 0 11.25 -999 ? CL CL A 119 >PHE~A 55 26.55 36.49 30.62 25.62 35.72 33.15 26.09 36.11 31.88 3 0 18.66 -999 ? CL CL A 118 >ILE~A 56 23.74 40.47 27.79 23.85 41.78 28.04 23.79 41.12 27.91 3 0 14.39 -999 ? O3 PO4 A 117 >ILE~A 57 21.83 37.25 23.76 22.62 37.06 22.68 22.23 37.15 23.22 3 0 10.12 -999 ? CL CL A 119 >GLU.A 58 22.90 32.82 26.23 21.58 31.72 24.97 22.24 32.27 25.60 2 0 12.04 -999 ? CL CL A 119 >VAL.A 59 19.55 35.88 30.47 20.48 37.82 31.02 20.01 36.85 30.74 3 0 13.53 -999 ? CL CL A 118 >PRO.A 60 16.30 34.29 33.06 16.50 35.42 31.08 16.40 34.86 32.07 3 0 13.38 -999 ? CL CL A 118 >TYR.A 61 12.24 38.65 30.87 10.19 38.03 32.62 11.22 38.34 31.74 3 0 11.63 -999 ? CL CL A 118 >MET?A 62 16.61 38.52 26.49 17.92 41.65 26.27 17.26 40.08 26.38 2 0 9.05 -999 ? CL CL A 118 >ASN~A 63 16.37 36.78 22.27 15.01 38.18 21.47 15.69 37.48 21.87 2 0 -3.49 -999 ? CL CL A 118s >SER~A 64 19.81 38.67 20.17 21.13 38.59 18.12 20.47 38.63 19.14 2 0 7.48 -999 ? CL CL A 119 >ARG~A 65 13.93 40.95 16.35 11.58 42.26 17.83 12.76 41.61 17.09 2 0 -4.10 -999 ? CL CL A 118s >LYS~A 66 15.99 42.39 21.89 12.19 43.89 25.09 14.09 43.14 23.49 2 0 7.05 -999 ? CL CL A 118 >PHE~A 67 22.06 42.69 23.33 24.60 43.63 24.16 23.33 43.16 23.74 3 0 9.93 -999 ? O3 PO4 A 117 >GLU~A 68 21.20 43.45 17.82 23.21 44.16 18.15 22.21 43.80 17.98 2 0 5.80 -999 ? O3 PO4 A 117 >LEU~A 69 15.47 46.56 20.01 14.57 46.06 18.09 15.02 46.31 19.05 3 0 8.14 -999 ? CL CL A 118 >LEU~A 70 18.23 46.93 24.62 18.41 47.47 26.74 18.32 47.20 25.68 3 0 10.85 -999 ? CL CL A 120 >ILE~A 71 22.27 48.59 21.52 23.34 48.65 22.26 22.81 48.62 21.89 3 0 5.68 -999 ? O2 PO4 A 117 >ALA~A 72 19.55 51.40 19.60 18.86 50.80 18.40 19.20 51.10 19.00 2 0 4.89 -999 ? O2 PO4 A 117 >ASN~A 73 15.89 51.75 22.81 14.30 50.96 21.73 15.10 51.35 22.27 2 0 10.45 -999 ? O2 PO4 A 117 >ILE~A 74 20.43 52.93 25.23 21.05 52.37 26.44 20.74 52.65 25.83 3 0 9.76 -999 ? O2 PO4 A 117 >GLU~A 75 23.23 54.02 20.66 23.60 52.81 18.94 23.42 53.42 19.80 2 0 -3.09 -999 ? O4 PO4 A 117s >GLN~A 76 16.15 57.24 19.31 14.74 56.09 18.13 15.44 56.67 18.72 2 0 10.32 -999 ? O2 PO4 A 117 >LEU~A 77 17.08 57.56 25.13 15.19 56.66 25.68 16.14 57.11 25.40 3 0 11.63 -999 ? CL CL A 120 >SER~A 78 20.87 59.71 24.51 22.53 58.79 23.02 21.70 59.25 23.76 2 0 9.97 -999 ? O4 PO4 A 117 >VAL~A 79 20.31 62.10 21.55 20.84 62.02 19.45 20.57 62.06 20.50 3 0 12.31 -999 ? O2 PO4 A 117 >GLU~A 80 15.51 61.19 20.26 14.17 59.57 20.01 14.84 60.38 20.13 2 0 13.24 -999 ? O2 PO4 A 117 >CYH~A 81 16.80 64.00 25.41 19.21 63.20 26.62 18.00 63.60 26.01 2 0 15.30 -999 ? CL CL A 120 >HIS.A 82 20.95 66.20 24.63 22.19 65.25 26.03 21.57 65.72 25.33 3 0 17.08 -999 ? O4 PO4 A 117 >PHE.A 83 17.07 67.61 19.72 19.48 67.63 18.31 18.27 67.62 19.01 3 0 17.83 -999 ? O2 PO4 A 117 >LYS.A 84 12.89 70.46 22.89 13.09 76.51 20.67 12.99 73.48 21.78 2 0 28.07 -999 ? O2 PO4 A 117 >THR.A 86 11.28 65.55 21.08 12.81 64.25 21.87 12.05 64.90 21.48 2 0 17.98 -999 ? O2 PO4 A 117 >SER~A 87 7.80 64.02 21.63 6.00 62.44 21.27 6.90 63.23 21.45 2 0 20.47 -999 ? CL CL A 120 >ARG~A 88 5.33 64.60 28.55 7.58 66.09 30.08 6.45 65.34 29.31 2 0 17.75 -999 ? CL CL A 120 >LYS~A 89 4.71 60.54 24.37 1.17 57.37 21.51 2.94 58.95 22.94 2 0 20.98 -999 ? CL CL A 120 >LEU~A 90 7.67 58.99 20.86 6.36 58.69 19.13 7.01 58.84 20.00 3 0 18.62 -999 ? O2 PO4 A 117 >PHE~A 91 12.10 60.98 25.59 14.43 61.01 27.07 13.27 61.00 26.33 3 0 13.57 -999 ? CL CL A 120 >ILE~A 92 7.66 59.14 28.47 8.31 59.54 29.68 7.98 59.34 29.07 3 0 12.84 -999 ? CL CL A 120 >GLU~A 93 6.29 53.90 24.28 4.84 54.29 22.80 5.56 54.09 23.54 2 0 16.87 -999 ? CL CL A 120 >LYS~A 94 10.82 54.28 24.86 13.37 56.62 20.23 12.10 55.45 22.55 2 0 12.20 -999 ? O2 PO4 A 117 >LEU~A 95 12.40 56.55 28.91 13.38 57.47 30.63 12.89 57.01 29.77 3 0 8.55 -999 ? CL CL A 120 >LYS~A 96 10.08 52.96 30.14 6.02 55.69 32.39 8.05 54.33 31.27 2 0 11.03 -999 ? CL CL A 120 >SER~A 97 10.80 50.10 27.77 11.35 49.35 25.52 11.07 49.73 26.65 2 0 10.93 -999 ? CL CL A 120 >VAL~A 98 14.57 50.59 28.20 16.06 51.88 27.24 15.31 51.24 27.72 3 0 7.69 -999 ? CL CL A 120 >GLN~A 99 14.14 53.24 32.67 13.22 54.85 33.79 13.68 54.05 33.23 2 0 -4.67 -999 ? CL CL A 120s >TYR~A 100 10.37 46.03 31.18 9.54 43.37 31.31 9.96 44.70 31.24 3 0 9.57 -999 ? CL CL A 120 >ASP~A 101 15.27 46.08 28.43 13.86 45.56 26.94 14.56 45.82 27.69 2 0 9.74 -999 ? CL CL A 118 >LEU~A 102 17.99 48.50 32.16 19.37 49.62 30.89 18.68 49.06 31.53 3 0 5.38 -999 ? CL CL A 120 >GLN~A 103 14.59 47.43 36.33 15.89 47.48 38.06 15.24 47.45 37.20 2 0 -4.58 -999 ? CL CL A 120s >ASN~A 104 14.80 41.90 32.38 12.68 41.99 32.63 13.74 41.95 32.51 2 0 10.05 -999 ? CL CL A 120 >ILE~A 105 19.91 43.20 31.64 20.63 43.49 30.42 20.27 43.35 31.03 3 0 10.11 -999 ? CL CL A 120 >LEU~A 106 19.87 44.76 36.76 20.90 45.85 38.39 20.38 45.31 37.57 3 0 7.87 -999 ? CL CL A 120 >ASP~A 107 16.79 40.26 37.49 15.50 41.77 38.15 16.14 41.02 37.82 2 0 9.82 -999 ? CL CL A 120 >GLY~A 108 19.80 38.15 35.15 20.22 38.65 35.60 20.01 38.40 35.38 1 0 13.70 -999 ? CL CL A 120 >VAL~A 109 23.44 39.18 35.79 23.75 40.88 34.38 23.59 40.03 35.09 3 0 13.72 -999 ? CL CL A 120 >THR.A 110 23.19 38.86 39.54 21.96 40.46 40.43 22.58 39.66 39.99 2 0 13.44 -999 ? CL CL A 120