REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-04 1XE1 COMPND HYPOTHETICAL PROTEIN PF0907; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; SOURCE 3 ORGANISM_TAXID: 2261; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR J.C.CHANG,M.ZHAO,W.ZHOU,Z.J.LIU,W.TEMPEL,W.B.ARENDALL III,L.CHEN, AUTHOR 2 D.LEE,J.E.HABEL,J.P.ROSE,J.S.RICHARDSON,D.C.RICHARDSON,B.C.WANG, AUTHOR 3 SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS (SECSG) HET MSE A 38 8 HET MSE A 51 12 HET SO4 A 301 5 SITE 1 AC1 3 ARG A 69 LYS A 76 LYS A 93 >ILE.A 20 80.60 23.38 -2.06 79.56 22.60 -1.67 80.08 22.99 -1.87 3 0 25.81 -999 ? O3 SO4 A 301 >LEU.A 21 84.97 26.43 0.63 85.53 28.09 -0.68 85.25 27.26 -0.02 3 0 27.01 -999 ? O3 SO4 A 301 >SER.A 22 83.42 22.91 3.30 82.40 24.21 5.10 82.91 23.56 4.20 2 0 26.01 -999 ? O3 SO4 A 301 >PRO.A 25 76.85 17.30 3.89 77.86 19.00 4.97 77.36 18.15 4.43 3 0 26.99 -999 ? O3 SO4 A 301 >ALA.A 26 75.96 21.77 7.70 75.86 23.29 7.62 75.91 22.53 7.66 2 0 22.21 -999 ? O3 SO4 A 301 >GLY^A 27 72.48 20.29 7.18 72.91 20.21 6.45 72.70 20.25 6.82 1 0 22.81 -999 ? O3 SO4 A 301 >LYS^A 28 70.24 18.25 4.86 73.44 12.82 4.47 71.84 15.53 4.66 2 0 29.82 -999 ? O3 SO4 A 301 >VAL^A 29 66.76 19.03 3.52 65.98 21.09 3.22 66.37 20.06 3.37 3 0 20.79 -999 ? O3 SO4 A 301 >VAL^A 30 64.31 16.39 2.28 62.85 14.87 3.09 63.58 15.63 2.69 3 0 24.75 -999 ? O4 SO4 A 301 >VAL^A 31 62.32 17.96 -0.55 63.03 18.89 -2.38 62.68 18.43 -1.46 3 0 22.71 -999 ? O3 SO4 A 301 >GLU^A 32 56.39 18.03 1.21 55.53 19.20 2.76 55.96 18.61 1.98 2 0 21.46 -999 ? O4 SO4 A 301 >GLU^A 33 55.10 19.85 -2.25 54.34 18.18 -3.41 54.72 19.01 -2.83 2 0 24.23 -999 ? O2 SO4 A 301 >VAL^A 34 59.49 22.10 -5.68 61.44 21.47 -6.48 60.47 21.79 -6.08 3 0 21.27 -999 ? O2 SO4 A 301 >VAL^A 35 57.94 24.97 -7.60 56.25 26.24 -7.01 57.10 25.60 -7.30 3 0 18.82 -999 ? O2 SO4 A 301 >ASN^A 36 60.14 27.02 -11.45 61.75 28.34 -11.92 60.94 27.68 -11.68 2 0 19.93 -999 ? O2 SO4 A 301 >ILE^A 37 57.18 31.18 -8.60 56.29 31.15 -7.64 56.74 31.17 -8.12 3 0 15.41 -999 ? O2 SO4 A 301 >MET?A 38 59.16 33.83 -11.91 56.82 36.09 -12.92 57.99 34.96 -12.41 2 0 17.39 -999 ? O2 SO4 A 301 >GLY.A 39 62.42 32.00 -12.70 62.10 31.96 -12.00 62.26 31.98 -12.35 1 0 18.64 -999 ? O2 SO4 A 301 >ASP^A 41 64.18 26.60 -7.31 64.40 25.46 -9.12 64.29 26.03 -8.21 2 0 20.23 -999 ? O3 SO4 A 301 >VAL^A 42 60.96 27.53 -4.23 59.54 29.03 -3.53 60.25 28.28 -3.88 3 0 14.52 -999 ? O2 SO4 A 301 >ILE^A 43 63.04 23.89 -2.16 64.08 22.95 -2.51 63.56 23.42 -2.33 3 0 18.28 -999 ? O3 SO4 A 301 >ILE^A 44 57.74 23.09 0.32 56.50 23.58 0.36 57.12 23.33 0.34 3 0 17.74 -999 ? O4 SO4 A 301 >GLY^A 45 60.90 20.52 2.71 60.66 21.14 3.22 60.78 20.83 2.96 1 0 19.68 -999 ? O4 SO4 A 301 >THR^A 46 61.98 19.48 6.19 60.59 18.44 7.54 61.29 18.96 6.86 2 0 21.59 -999 ? O4 SO4 A 301 >VAL^A 47 65.45 19.84 7.64 66.58 21.59 8.33 66.01 20.71 7.99 3 0 20.23 -999 ? O4 SO4 A 301 >GLU^A 48 66.96 13.94 7.05 68.88 13.16 7.47 67.92 13.55 7.26 2 0 28.23 -999 ? O4 SO4 A 301 >SER^A 49 69.79 16.73 10.07 71.32 15.73 8.41 70.55 16.23 9.24 2 0 26.64 -999 ? O3 SO4 A 301 >GLY^A 50 71.89 19.63 11.28 71.09 19.63 11.17 71.49 19.63 11.23 1 0 23.98 -999 ? O3 SO4 A 301 >MET?A 51 70.95 23.20 10.40 72.31 26.72 12.92 71.63 24.96 11.66 2 0 19.11 -999 ? O3 SO4 A 301 >ILE^A 52 69.81 25.14 6.32 68.73 24.56 5.68 69.27 24.85 6.00 3 0 17.20 -999 ? O3 SO4 A 301 >GLY^A 53 70.99 29.35 7.34 71.09 29.02 6.58 71.04 29.19 6.96 1 0 14.50 -999 ? O3 SO4 A 301 >VAL.A 54 70.53 32.25 4.93 69.15 33.97 4.84 69.84 33.11 4.89 3 0 10.67 -999 ? O3 SO4 A 301 >GLY.A 55 73.59 32.40 2.71 73.29 31.71 2.90 73.44 32.06 2.81 1 0 14.12 -999 ? O3 SO4 A 301 >PHE.A 56 74.28 27.75 5.36 75.06 27.87 8.06 74.67 27.81 6.71 3 0 17.97 -999 ? O3 SO4 A 301 >LYS^A 57 75.16 26.74 -0.20 80.98 28.60 -0.32 78.07 27.67 -0.26 2 0 22.78 -999 ? O3 SO4 A 301 >VAL^A 58 72.83 24.17 -1.78 70.62 24.30 -1.78 71.73 24.24 -1.78 3 0 19.79 -999 ? O3 SO4 A 301 >LYS^A 59 74.46 21.35 -3.71 78.06 16.61 -3.89 76.26 18.98 -3.80 2 0 29.82 -999 ? O3 SO4 A 301 >GLY.A 60 72.04 20.61 -6.55 72.85 20.39 -6.58 72.44 20.50 -6.57 1 0 24.69 -999 ? O3 SO4 A 301 >PRO.A 61 69.96 17.68 -8.94 72.08 18.37 -8.74 71.02 18.03 -8.84 3 0 27.46 -999 ? O3 SO4 A 301 >SER.A 62 73.67 20.33 -11.80 72.07 19.49 -13.43 72.87 19.91 -12.61 2 0 29.20 -999 ? O3 SO4 A 301 >GLY.A 63 74.70 23.40 -9.83 74.42 22.91 -9.28 74.56 23.15 -9.55 1 0 25.48 -999 ? O3 SO4 A 301 >ILE^A 64 76.82 25.33 -6.13 77.90 24.97 -5.57 77.36 25.15 -5.85 3 0 23.88 -999 ? O3 SO4 A 301 >GLY^A 65 72.77 27.60 -5.25 73.31 27.32 -4.69 73.04 27.46 -4.97 1 0 19.24 -999 ? O3 SO4 A 301 >GLY^A 66 72.56 30.02 -2.37 71.82 29.78 -2.71 72.19 29.90 -2.54 1 0 16.22 -999 ? O3 SO4 A 301 >ILE^A 67 69.74 29.43 1.54 69.02 28.43 2.37 69.38 28.93 1.96 3 0 13.80 -999 ? O3 SO4 A 301 >VAL^A 68 68.31 33.61 -0.13 67.84 34.74 -1.96 68.08 34.17 -1.04 3 0 10.20 -999 ? O3 SO4 A 301 >ARG^A 69 62.01 35.32 1.81 60.56 37.34 3.61 61.29 36.33 2.71 2 0 -3.41 -999 ? O4 SO4 A 301s >ILE^A 70 64.75 30.09 5.68 65.57 29.04 6.21 65.16 29.56 5.95 3 0 11.36 -999 ? O3 SO4 A 301 >GLU^A 71 59.51 32.52 4.18 57.84 33.50 3.31 58.68 33.01 3.75 2 0 7.28 -999 ? O4 SO4 A 301 >ARG^A 72 60.57 26.80 11.68 62.70 28.70 12.85 61.64 27.75 12.26 2 0 13.54 -999 ? O4 SO4 A 301 >ASN.A 73 55.07 28.70 11.19 55.45 26.75 11.95 55.26 27.72 11.57 2 0 15.31 -999 ? O4 SO4 A 301 >GLU^A 75 57.67 34.63 11.26 56.07 36.01 11.28 56.87 35.32 11.27 2 0 7.90 -999 ? O4 SO4 A 301 >LYS^A 76 60.82 34.79 7.67 64.61 39.66 6.36 62.72 37.22 7.02 2 0 -3.34 -999 ? O3 SO4 A 301s >VAL^A 77 63.62 33.15 9.71 62.66 31.20 10.18 63.14 32.17 9.95 3 0 9.32 -999 ? O4 SO4 A 301 >GLU.A 78 67.86 35.79 10.36 67.64 36.70 8.43 67.75 36.24 9.39 2 0 7.84 -999 ? O3 SO4 A 301 >PHE^A 79 68.98 29.62 12.54 68.43 29.70 15.27 68.70 29.66 13.90 3 0 15.66 -999 ? O4 SO4 A 301 >ALA^A 80 66.26 26.39 10.60 65.26 26.11 9.43 65.76 26.25 10.01 2 0 15.20 -999 ? O4 SO4 A 301 >ILE^A 81 67.48 23.35 13.90 67.38 24.01 15.19 67.43 23.68 14.54 3 0 19.87 -999 ? O4 SO4 A 301 >ALA.A 82 66.35 19.42 12.16 67.20 18.30 12.80 66.77 18.86 12.48 2 0 23.83 -999 ? O4 SO4 A 301 >GLY.A 83 62.61 18.82 12.21 62.89 19.44 11.81 62.75 19.13 12.01 1 0 22.23 -999 ? O4 SO4 A 301 >ASP.A 84 62.59 23.54 10.85 62.92 24.38 12.81 62.76 23.96 11.83 2 0 17.31 -999 ? O4 SO4 A 301 >ARG^A 85 56.07 20.91 6.50 53.74 21.83 4.78 54.91 21.37 5.64 2 0 19.24 -999 ? O4 SO4 A 301 >ILE^A 86 61.82 25.60 6.06 63.11 25.25 6.55 62.46 25.42 6.30 3 0 14.72 -999 ? O4 SO4 A 301 >GLY^A 87 60.12 27.02 2.41 60.68 27.19 3.03 60.40 27.11 2.72 1 0 13.36 -999 ? O4 SO4 A 301 >ILE^A 88 64.51 26.95 0.89 65.45 26.13 1.39 64.98 26.54 1.14 3 0 14.50 -999 ? O3 SO4 A 301 >SER^A 89 64.29 30.40 -2.05 62.77 32.22 -1.60 63.53 31.31 -1.83 2 0 10.12 -999 ? O3 SO4 A 301 >ILE^A 90 67.66 28.01 -4.26 68.31 26.71 -4.05 67.99 27.36 -4.16 3 0 16.64 -999 ? O3 SO4 A 301 >GLU^A 91 71.03 33.93 -6.28 69.46 35.08 -7.14 70.25 34.51 -6.71 2 0 14.66 -999 ? O3 SO4 A 301 >GLY.A 92 71.39 30.14 -8.94 70.59 29.94 -8.74 70.99 30.04 -8.84 1 0 19.20 -999 ? O3 SO4 A 301 >LYS.A 93 70.36 27.27 -11.18 69.05 29.51 -16.94 69.71 28.39 -14.06 2 0 -24.91 -999 ? O3 SO4 A 301s >ILE.A 94 70.59 23.93 -7.84 69.95 24.14 -6.72 70.27 24.04 -7.28 3 0 21.67 -999 ? O3 SO4 A 301 >GLY.A 95 69.34 21.61 -11.86 68.88 21.93 -11.25 69.11 21.77 -11.55 1 0 25.84 -999 ? O3 SO4 A 301 >VAL.A 97 65.15 18.87 -8.04 65.76 20.02 -6.28 65.46 19.45 -7.16 3 0 24.12 -999 ? O3 SO4 A 301 >LYS.A 98 62.32 16.45 -7.36 62.58 16.41 -12.26 62.45 16.43 -9.81 2 0 29.15 -999 ? O2 SO4 A 301 >LYS.A 99 60.09 15.61 -4.38 55.25 15.44 -1.51 57.67 15.52 -2.94 2 0 26.03 -999 ? O4 SO4 A 301 >GLY.A 100 62.07 13.03 -2.36 62.46 13.67 -2.60 62.27 13.35 -2.48 1 0 28.15 -999 ? O3 SO4 A 301 >ASP.A 101 65.94 15.43 -4.14 65.84 14.74 -6.18 65.89 15.09 -5.16 2 0 27.97 -999 ? O3 SO4 A 301 >VAL^A 102 67.70 15.09 -0.06 67.99 13.86 1.73 67.84 14.48 0.83 3 0 26.77 -999 ? O3 SO4 A 301 >LEU^A 103 69.04 19.61 -1.06 68.21 20.01 -3.02 68.62 19.81 -2.04 3 0 22.51 -999 ? O3 SO4 A 301 >GLU^A 104 74.22 16.50 0.99 76.01 15.53 0.34 75.12 16.01 0.66 2 0 28.78 -999 ? O3 SO4 A 301 >ILE^A 105 72.26 22.90 3.08 71.22 23.34 2.91 71.74 23.12 3.00 3 0 19.84 -999 ? O3 SO4 A 301 >TYR^A 106 78.10 22.07 1.68 78.32 19.35 0.98 78.21 20.71 1.33 3 0 25.63 -999 ? O3 SO4 A 301 >GLN.A 107 79.39 27.26 7.57 80.14 26.64 9.44 79.76 26.95 8.51 2 0 23.28 -999 ? O3 SO4 A 301 >THR.A 108 80.64 27.44 2.97 82.15 28.32 4.37 81.40 27.88 3.67 2 0 23.44 -999 ? O3 SO4 A 301