REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-DEC-05 2FFM COMPND SAV1430; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS SOURCE 3 MU50; SOURCE 4 ORGANISM_TAXID: 158878; SOURCE 5 STRAIN: SUBSP. AUREUS MU50; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,Y.CHEN,S.JAYARAMAN,H.JANJUA,R.XIAO,T.B.ACTON, AUTHOR 2 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 3 GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 15 8 HET MSE A 26 8 HET MSE A 58 8 >MET?A 1 30.38 7.47 5.12 32.08 3.67 5.71 31.23 5.57 5.41 2 0 1000.00 -999 ? >LYS.A 2 29.15 8.75 8.48 23.95 11.35 9.67 26.55 10.05 9.07 2 0 1000.00 -999 ? >ILE^A 3 30.39 7.89 13.09 31.00 6.64 13.25 30.70 7.27 13.17 3 0 1000.00 -999 ? >ILE^A 4 24.73 6.37 12.86 23.58 5.51 12.87 24.15 5.94 12.86 3 0 1000.00 -999 ? >SER^A 5 26.81 5.91 16.98 25.89 4.33 18.58 26.35 5.12 17.78 2 0 1000.00 -999 ? >ILE^A 6 30.91 6.45 19.30 32.23 7.00 18.87 31.57 6.73 19.09 3 0 1000.00 -999 ? >SER^A 7 29.46 3.15 22.31 27.18 2.89 21.55 28.32 3.02 21.93 2 0 1000.00 -999 ? >GLU^A 8 32.25 1.45 27.39 33.82 2.81 27.00 33.03 2.13 27.19 2 0 1000.00 -999 ? >THR.A 9 31.59 -2.47 24.86 32.81 -3.86 23.71 32.20 -3.16 24.28 2 0 1000.00 -999 ? >PRO.A 10 31.03 -6.60 25.89 31.51 -4.74 27.00 31.27 -5.67 26.45 3 0 1000.00 -999 ? >ASN.A 11 36.13 -5.73 26.28 38.15 -6.09 26.81 37.14 -5.91 26.55 2 0 1000.00 -999 ? >HIS.A 12 39.39 -0.52 29.13 40.59 1.20 29.19 39.99 0.34 29.16 3 0 1000.00 -999 ? >ASN.A 13 41.29 -3.12 24.69 42.65 -2.92 26.30 41.97 -3.02 25.50 2 0 1000.00 -999 ? >THR^A 14 37.22 -2.27 22.33 36.23 -4.22 22.31 36.73 -3.24 22.32 2 0 1000.00 -999 ? >MET?A 15 34.47 0.12 21.20 35.32 3.97 22.80 34.89 2.05 22.00 2 0 1000.00 -999 ? >LYS^A 16 31.51 -0.42 18.87 25.97 -3.47 18.09 28.74 -1.94 18.48 2 0 1000.00 -999 ? >ILE^A 17 32.47 2.74 15.47 33.49 3.76 15.31 32.98 3.25 15.39 3 0 1000.00 -999 ? >THR^A 18 27.97 2.00 14.14 26.06 1.28 14.84 27.01 1.64 14.49 2 0 1000.00 -999 ? >LEU^A 19 29.21 2.82 9.59 31.17 2.01 10.03 30.19 2.42 9.81 3 0 1000.00 -999 ? >SER.A 20 25.35 4.46 8.25 26.41 6.27 6.94 25.88 5.37 7.60 2 0 1000.00 -999 ? >GLU.A 21 27.20 2.37 2.81 28.66 3.15 1.48 27.93 2.76 2.15 2 0 1000.00 -999 ? >SER.A 22 25.69 -1.30 5.98 24.30 -3.12 6.80 25.00 -2.21 6.39 2 0 1000.00 -999 ? >ARG.A 23 30.78 -5.83 6.31 32.69 -7.83 4.99 31.73 -6.83 5.65 2 0 1000.00 -999 ? >GLU.A 24 26.16 -6.84 -0.84 26.65 -6.23 -2.81 26.40 -6.53 -1.83 2 0 1000.00 -999 ? >GLY.A 25 27.42 -9.67 2.77 27.23 -9.05 3.30 27.33 -9.36 3.03 1 0 1000.00 -999 ? >MET?A 26 26.29 -11.28 6.01 23.19 -10.31 5.58 24.74 -10.80 5.80 2 0 1000.00 -999 ? >THR.A 27 29.77 -12.52 6.88 30.62 -13.52 5.13 30.20 -13.02 6.01 2 0 1000.00 -999 ? >SER.A 28 32.26 -10.70 9.06 33.05 -12.03 10.92 32.66 -11.36 9.99 2 0 1000.00 -999 ? >ASP^A 29 36.06 -8.85 7.29 35.81 -9.96 5.51 35.94 -9.41 6.40 2 0 1000.00 -999 ? >THR^A 30 38.68 -9.04 11.07 38.72 -10.01 13.00 38.70 -9.52 12.03 2 0 1000.00 -999 ? >TYR^A 31 39.95 -5.81 8.04 37.76 -6.05 6.32 38.85 -5.93 7.18 3 0 1000.00 -999 ? >THR.A 32 44.72 -6.71 11.73 45.00 -8.81 12.19 44.86 -7.76 11.96 2 0 1000.00 -999 ? >LYS.A 33 46.99 -5.16 9.09 47.83 -10.51 8.22 47.42 -7.83 8.65 2 0 1000.00 -999 ? >VAL.A 34 46.68 -2.86 6.07 47.62 -0.96 6.57 47.15 -1.91 6.32 3 0 1000.00 -999 ? >ASP.A 35 47.03 -5.55 2.46 45.28 -6.66 2.63 46.15 -6.11 2.54 2 0 1000.00 -999 ? >ASP.A 36 46.15 -3.23 -2.22 46.74 -5.21 -2.62 46.45 -4.22 -2.42 2 0 1000.00 -999 ? >SER.A 37 42.51 -5.70 -0.80 43.02 -7.51 0.77 42.77 -6.61 -0.02 2 0 1000.00 -999 ? >GLN.A 38 42.03 -5.30 4.09 43.20 -5.02 5.82 42.61 -5.16 4.95 2 0 1000.00 -999 ? >PRO~A 39 36.77 -2.54 2.91 38.74 -1.80 2.18 37.76 -2.17 2.54 3 0 1000.00 -999 ? >ALA~A 40 40.31 2.20 2.04 40.15 3.32 1.04 40.23 2.76 1.54 2 0 1000.00 -999 ? >PHE~A 41 36.35 2.81 5.77 34.78 0.61 6.48 35.57 1.71 6.13 3 0 1000.00 -999 ? >ILE~A 42 39.35 -1.12 6.31 38.66 -1.80 7.45 39.01 -1.46 6.88 3 0 1000.00 -999 ? >ASN~A 43 44.11 0.79 4.70 44.00 -1.11 3.77 44.06 -0.16 4.23 2 0 1000.00 -999 ? >ASP~A 44 42.40 5.51 6.69 42.98 6.04 4.71 42.69 5.78 5.70 2 0 1000.00 -999 ? >ILE~A 45 40.51 2.59 10.88 39.16 2.61 11.48 39.83 2.60 11.18 3 0 1000.00 -999 ? >LEU~A 46 44.79 -0.56 10.18 43.34 -2.10 9.85 44.07 -1.33 10.02 3 0 1000.00 -999 ? >LYS~A 47 47.28 3.20 10.43 47.77 4.04 4.15 47.53 3.62 7.29 2 0 1000.00 -999 ? >VAL.A 48 45.99 5.08 13.48 44.10 6.01 14.00 45.05 5.54 13.74 3 0 1000.00 -999 ? >GLU.A 49 50.20 5.83 18.08 52.16 5.06 17.83 51.18 5.44 17.96 2 0 1000.00 -999 ? >GLY.A 50 46.89 2.66 18.97 46.76 2.40 18.22 46.82 2.53 18.59 1 0 1000.00 -999 ? >VAL^A 51 44.48 0.70 16.82 43.06 1.23 15.25 43.77 0.96 16.03 3 0 1000.00 -999 ? >LYS^A 52 45.11 -3.02 17.24 46.73 -4.51 21.05 45.92 -3.77 19.15 2 0 1000.00 -999 ? >SER^A 53 42.46 -4.68 15.04 41.17 -6.31 16.29 41.82 -5.50 15.66 2 0 1000.00 -999 ? >ILE^A 54 39.10 -3.18 12.23 38.57 -1.95 12.78 38.83 -2.56 12.51 3 0 1000.00 -999 ? >PHE^A 55 34.33 -7.99 14.50 32.37 -9.98 14.15 33.35 -8.99 14.33 3 0 1000.00 -999 ? >HIS^A 56 33.43 -4.04 8.50 32.32 -2.83 7.20 32.87 -3.44 7.85 3 0 1000.00 -999 ? >VAL^A 57 30.17 -6.93 10.19 29.38 -8.40 11.57 29.77 -7.66 10.88 3 0 1000.00 -999 ? >MET?A 58 26.70 -5.76 9.18 24.45 -8.14 12.15 25.58 -6.95 10.66 2 0 1000.00 -999 ? >ASP.A 59 24.97 -1.42 10.17 24.29 -1.65 12.18 24.63 -1.54 11.18 2 0 1000.00 -999 ? >PHE^A 60 28.65 -3.16 14.30 28.64 -5.85 15.14 28.65 -4.51 14.72 3 0 1000.00 -999 ? >ILE^A 61 34.01 -1.18 12.29 34.43 -0.12 11.42 34.22 -0.65 11.86 3 0 1000.00 -999 ? >SER^A 62 34.37 -2.91 16.48 32.63 -4.12 17.65 33.50 -3.51 17.06 2 0 1000.00 -999 ? >VAL^A 63 37.74 -1.28 16.91 38.26 0.62 16.00 38.00 -0.33 16.45 3 0 1000.00 -999 ? >ASP^A 64 40.70 -4.17 19.33 39.07 -5.50 19.51 39.89 -4.83 19.42 2 0 1000.00 -999 ? >LYS^A 65 42.96 -0.38 20.78 43.37 0.81 25.95 43.16 0.22 23.36 2 0 1000.00 -999 ? >GLU.A 66 48.06 -0.68 20.36 48.67 -2.65 19.89 48.36 -1.66 20.13 2 0 1000.00 -999 ? >ASN.A 67 46.95 -3.28 26.59 46.79 -3.28 28.72 46.87 -3.28 27.66 2 0 1000.00 -999 ? >ASP.A 68 50.22 0.74 26.24 51.06 -1.09 26.93 50.64 -0.17 26.58 2 0 1000.00 -999 ? >ALA.A 69 46.78 3.33 24.41 46.56 3.15 22.92 46.67 3.24 23.67 2 0 1000.00 -999 ? >ASN~A 70 44.12 6.60 26.47 45.14 8.23 25.58 44.63 7.41 26.02 2 0 1000.00 -999 ? >TRP~A 71 39.08 3.30 24.79 38.95 2.04 21.06 39.02 2.67 22.93 3 0 1000.00 -999 ? >GLU~A 72 40.59 10.38 26.89 40.78 8.41 27.70 40.68 9.39 27.29 2 0 1000.00 -999 ? >THR~A 73 43.71 10.10 21.74 45.75 9.35 21.80 44.73 9.72 21.77 2 0 1000.00 -999 ? >VAL~A 74 42.71 7.23 19.40 43.28 5.10 19.47 42.99 6.17 19.44 3 0 1000.00 -999 ? >LEU~A 75 37.94 7.99 20.11 36.06 6.90 20.14 37.00 7.45 20.13 3 0 1000.00 -999 ? >PRO~A 76 40.99 11.69 19.18 39.41 10.76 17.94 40.20 11.23 18.56 3 0 1000.00 -999 ? >LYS~A 77 41.88 10.15 14.94 47.57 10.08 17.65 44.72 10.12 16.29 2 0 1000.00 -999 ? >VAL~A 78 39.58 7.23 14.20 39.13 5.34 15.14 39.35 6.28 14.67 3 0 1000.00 -999 ? >GLU~A 79 34.56 10.93 14.09 34.89 12.88 13.33 34.73 11.91 13.71 2 0 1000.00 -999 ? >ALA~A 80 38.89 11.84 11.58 40.26 12.31 12.04 39.57 12.07 11.81 2 0 1000.00 -999 ? >VAL~A 81 39.15 9.09 8.95 39.94 7.05 8.99 39.54 8.07 8.97 3 0 1000.00 -999 ? >PHE.A 82 34.35 7.61 9.18 34.59 4.88 9.82 34.47 6.24 9.50 3 0 1000.00 -999 ? >GLU.A 83 38.11 13.37 5.88 38.47 12.77 3.90 38.29 13.07 4.89 2 0 1000.00 -999 ?