REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-DEC-05 2D9R COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; SOURCE 3 ORGANISM_TAXID: 242619; SOURCE 4 STRAIN: W83; SOURCE 5 GENE: PG0164; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR T.A.BINKOWSKI,C.HATZOS,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 34 8 HET MSE A 72 8 HET CL A 105 1 HET CL A 106 1 HET BME A1270 4 SITE 1 AC1 2 PHE A 43 ASP A 44 SITE 1 AC2 2 ARG A 53 ARG A 71 SITE 1 AC3 3 TYR A 38 GLU A 40 CYS A 76 >SER.A 20 -11.41 24.81 15.82 -11.79 22.74 16.98 -11.60 23.78 16.40 2 0 15.64 -999 ? CL CL A 105 >PRO.A 21 -7.42 26.34 15.81 -8.37 24.43 15.09 -7.89 25.38 15.45 3 0 16.52 -999 ? CL CL A 105 >ILE^A 22 -6.03 19.83 13.37 -6.38 18.59 12.71 -6.21 19.21 13.04 3 0 9.82 -999 ? CL CL A 105 >GLU^A 23 -4.29 23.03 17.76 -4.49 24.40 19.39 -4.39 23.72 18.58 2 0 16.87 -999 ? CL CL A 105 >PHE^A 24 0.22 18.31 14.70 0.56 19.29 12.09 0.39 18.80 13.39 3 0 11.13 -999 ? CL CL A 105 >ASP^A 25 4.54 18.44 19.24 4.18 19.74 20.85 4.36 19.09 20.04 2 0 16.89 -999 ? CL CL A 105 >ALA^A 26 6.08 18.02 15.06 5.45 18.49 13.75 5.76 18.25 14.40 2 0 10.42 -999 ? O1 BME A1270 >ILE^A 27 10.71 16.31 14.45 11.63 16.49 15.59 11.17 16.40 15.02 3 0 10.16 -999 ? O1 BME A1270 >ILE.A 28 11.79 21.33 11.92 11.83 22.79 11.82 11.81 22.06 11.87 3 0 11.39 -999 ? O1 BME A1270 >ARG^A 29 11.70 15.01 10.24 11.84 13.04 12.59 11.77 14.02 11.41 2 0 7.41 -999 ? O1 BME A1270 >GLN.A 30 16.65 20.42 5.38 17.82 22.03 6.17 17.24 21.23 5.78 2 0 12.71 -999 ? O1 BME A1270 >VAL.A 31 15.95 16.91 2.85 15.17 16.52 0.87 15.56 16.72 1.86 3 0 8.52 -999 ? O1 BME A1270 >PRO.A 32 19.38 14.23 3.10 18.98 16.42 3.37 19.18 15.32 3.24 3 0 10.74 -999 ? O1 BME A1270 >ASP.A 33 22.67 18.52 0.92 24.26 19.65 0.10 23.47 19.08 0.51 2 0 17.60 -999 ? O1 BME A1270 >MET?A 34 18.79 21.46 0.86 18.35 20.27 -2.24 18.57 20.87 -0.69 2 0 14.33 -999 ? O1 BME A1270 >ASP.A 35 17.87 26.16 1.87 19.88 26.68 1.39 18.87 26.42 1.63 2 0 18.10 -999 ? O1 BME A1270 >ALA.A 36 14.04 24.01 2.84 13.12 23.91 1.62 13.58 23.96 2.23 2 0 12.48 -999 ? O1 BME A1270 >ALA^A 37 12.29 22.35 5.78 12.61 23.03 7.10 12.45 22.69 6.44 2 0 10.87 -999 ? O1 BME A1270 >TYR^A 38 9.26 18.57 5.14 10.56 16.09 5.11 9.91 17.33 5.12 3 0 -4.59 -999 ? O1 BME A1270s >VAL^A 39 6.70 19.02 8.92 5.83 20.69 10.14 6.26 19.86 9.53 3 0 8.42 -999 ? O1 BME A1270 >GLU^A 40 6.93 14.05 8.20 7.62 12.07 8.55 7.28 13.06 8.38 2 0 -3.24 -999 ? O1 BME A1270s >ILE.A 41 0.13 16.25 7.99 -0.24 17.67 8.31 -0.05 16.96 8.15 3 0 8.08 -999 ? S2 BME A1270 >PRO.A 42 0.59 14.85 13.30 0.65 13.76 11.33 0.62 14.31 12.31 3 0 7.78 -999 ? CL CL A 105 >PHE.A 43 -4.16 14.39 10.94 -4.41 17.05 10.04 -4.29 15.72 10.49 3 0 -6.37 -999 ? CL CL A 105s >ASP~A 44 -5.80 9.61 7.83 -6.65 8.97 6.00 -6.23 9.29 6.91 2 0 -5.63 -999 ? CL CL A 105s >VAL~A 45 -5.16 14.01 5.60 -3.75 15.62 4.98 -4.45 14.81 5.29 3 0 8.20 -999 ? CL CL A 105 >LYS~A 46 -7.25 12.28 2.87 -7.24 8.01 -1.98 -7.25 10.15 0.45 2 0 11.72 -999 ? CL CL A 106 >THR~A 47 -9.94 11.23 5.41 -10.24 9.41 6.52 -10.09 10.32 5.96 2 0 6.87 -999 ? CL CL A 105 >VAL~A 48 -9.88 14.47 7.43 -8.81 15.02 9.29 -9.34 14.74 8.36 3 0 7.19 -999 ? CL CL A 105 >TYR~A 49 -7.90 18.53 5.66 -6.71 19.79 7.86 -7.30 19.16 6.76 3 0 10.87 -999 ? CL CL A 105 >GLY~A 50 -10.61 15.11 1.48 -9.81 15.24 1.73 -10.21 15.18 1.60 1 0 11.51 -999 ? CL CL A 106 >LYS.A 51 -8.45 14.25 -1.55 -9.84 9.09 -3.66 -9.15 11.67 -2.61 2 0 12.54 -999 ? CL CL A 106 >GLY.A 52 -5.77 16.38 -3.18 -5.74 16.29 -2.37 -5.76 16.34 -2.78 1 0 5.36 -999 ? CL CL A 106 >ARG.A 53 -1.23 21.24 -3.98 1.20 21.31 -5.82 -0.02 21.27 -4.90 2 0 -4.76 -999 ? CL CL A 106s >VAL^A 54 -5.18 21.29 1.02 -6.05 20.05 2.64 -5.61 20.67 1.83 3 0 8.06 -999 ? CL CL A 106 >ARG^A 55 -5.31 28.39 -0.46 -5.63 31.27 0.51 -5.47 29.83 0.03 2 0 15.24 -999 ? CL CL A 106 >VAL^A 56 -4.46 25.86 5.17 -3.32 24.01 5.74 -3.89 24.93 5.46 3 0 12.16 -999 ? CL CL A 106 >ASN^A 57 -5.18 29.65 8.19 -5.55 31.45 7.05 -5.37 30.55 7.62 2 0 18.24 -999 ? CL CL A 106 >ALA^A 58 -1.28 27.29 9.70 -0.24 26.42 8.97 -0.76 26.85 9.34 2 0 15.39 -999 ? CL CL A 106 >THR^A 59 0.80 28.50 12.67 -0.71 29.09 14.16 0.04 28.79 13.42 2 0 20.19 -999 ? S2 BME A1270 >PHE^A 60 5.10 26.67 11.40 4.52 25.44 8.93 4.81 26.06 10.16 3 0 14.54 -999 ? O1 BME A1270 >ASP.A 61 6.29 28.45 17.72 7.27 26.65 18.29 6.78 27.55 18.00 2 0 18.72 -999 ? O1 BME A1270 >GLY.A 62 2.07 30.80 16.87 2.57 30.65 16.27 2.32 30.73 16.57 1 0 22.23 -999 ? O1 BME A1270 >TYR^A 63 5.55 33.32 12.40 6.28 35.31 10.60 5.91 34.32 11.50 3 0 22.43 -999 ? O1 BME A1270 >PRO^A 64 0.98 34.87 11.20 1.45 32.68 11.50 1.21 33.77 11.35 3 0 22.15 -999 ? CL CL A 106 >TYR^A 65 2.98 29.50 6.13 3.57 28.69 3.50 3.28 29.10 4.82 3 0 14.82 -999 ? CL CL A 106 >THR^A 66 -0.87 30.31 4.62 -2.64 31.45 4.23 -1.75 30.88 4.42 2 0 16.12 -999 ? CL CL A 106 >GLY^A 67 0.10 27.43 2.31 -0.59 27.20 2.71 -0.25 27.31 2.51 1 0 11.56 -999 ? CL CL A 106 >TYR^A 68 -1.04 24.82 -1.12 -2.29 26.93 -2.46 -1.66 25.88 -1.79 3 0 8.64 -999 ? CL CL A 106 >ILE^A 69 -1.45 19.76 3.64 -1.83 19.17 4.87 -1.64 19.46 4.26 3 0 8.14 -999 ? CL CL A 106 >VAL^A 70 0.85 18.39 -0.22 2.46 19.74 -0.93 1.65 19.06 -0.57 3 0 4.03 -999 ? CL CL A 106 >ARG^A 71 -2.64 13.99 -2.44 -2.92 14.44 -5.49 -2.78 14.22 -3.96 2 0 -4.32 -999 ? CL CL A 106s >MET?A 72 4.19 13.01 -1.41 6.21 15.75 -1.90 5.20 14.38 -1.66 2 0 7.17 -999 ? CL CL A 106 >GLY.A 73 3.84 9.22 -1.83 3.59 9.70 -1.12 3.71 9.46 -1.47 1 0 7.69 -999 ? C2 BME A1270 >LEU.A 74 -0.82 8.03 -0.95 -1.80 9.85 -1.85 -1.31 8.94 -1.40 3 0 8.86 -999 ? CL CL A 106 >PRO.A 75 -0.14 6.82 4.04 0.45 8.14 2.31 0.16 7.48 3.17 3 0 7.60 -999 ? S2 BME A1270 >CYH.A 76 2.95 10.92 3.37 5.38 12.21 3.18 4.16 11.57 3.27 2 0 -2.18 -999 ? S2 BME A1270s >HIS^A 77 -0.81 13.97 3.23 -2.13 12.65 2.26 -1.47 13.31 2.74 3 0 7.63 -999 ? CL CL A 106 >ILE^A 78 5.33 17.39 3.92 6.42 16.93 3.07 5.87 17.16 3.50 3 0 5.35 -999 ? S2 BME A1270 >LEU^A 79 2.87 21.71 6.23 1.85 23.71 6.38 2.36 22.71 6.30 3 0 11.16 -999 ? S2 BME A1270 >GLY^A 80 6.69 23.31 4.07 6.08 23.51 4.64 6.39 23.41 4.36 1 0 10.84 -999 ? O1 BME A1270 >LEU^A 81 8.80 24.86 8.02 8.65 25.85 9.98 8.73 25.35 9.00 3 0 12.91 -999 ? O1 BME A1270 >ARG~A 82 7.33 30.87 3.16 8.22 33.76 2.84 7.77 32.31 3.00 2 0 19.55 -999 ? CL CL A 106 >GLN~A 83 15.88 29.78 5.35 17.35 29.61 3.77 16.62 29.70 4.56 2 0 18.80 -999 ? O1 BME A1270 >ASP~A 84 11.49 34.30 6.11 9.60 33.83 5.16 10.54 34.07 5.64 2 0 20.98 -999 ? O1 BME A1270 >ILE~A 85 8.36 30.82 9.14 7.00 30.55 9.09 7.68 30.68 9.11 3 0 18.18 -999 ? O1 BME A1270 >ARG~A 86 13.26 26.13 9.18 14.77 26.08 6.51 14.01 26.10 7.84 2 0 14.42 -999 ? O1 BME A1270 >ARG~A 87 16.85 33.63 8.66 15.41 34.37 5.99 16.13 34.00 7.33 2 0 22.43 -999 ? O1 BME A1270 >ALA~A 88 11.29 34.31 13.12 9.94 34.59 12.42 10.61 34.45 12.77 2 0 22.75 -999 ? O1 BME A1270 >ILE~A 89 9.56 30.49 15.46 8.63 29.70 14.68 9.10 30.09 15.07 3 0 19.59 -999 ? O1 BME A1270 >GLY~A 90 14.40 30.48 15.98 13.75 29.98 15.82 14.07 30.23 15.90 1 0 21.07 -999 ? O1 BME A1270 >LYS.A 91 13.80 26.83 15.09 10.47 26.02 19.27 12.13 26.42 17.18 2 0 18.93 -999 ? O1 BME A1270 >GLN.A 92 17.96 24.12 14.13 19.99 24.72 14.51 18.98 24.42 14.32 2 0 18.38 -999 ? O1 BME A1270 >PRO.A 93 16.33 21.76 9.29 15.76 21.67 11.47 16.05 21.72 10.38 3 0 12.21 -999 ? O1 BME A1270 >GLY.A 94 15.66 18.57 14.36 15.13 19.22 14.35 15.40 18.89 14.36 1 0 12.28 -999 ? O1 BME A1270 >ASP.A 95 13.93 22.58 16.58 15.87 23.25 17.03 14.90 22.91 16.80 2 0 16.79 -999 ? O1 BME A1270 >SER^A 96 10.24 20.40 17.68 8.50 19.84 19.24 9.37 20.12 18.46 2 0 15.20 -999 ? O1 BME A1270 >VAL^A 97 7.55 22.98 16.63 7.29 23.83 14.60 7.42 23.41 15.62 3 0 14.54 -999 ? O1 BME A1270 >TYR^A 98 2.03 23.50 19.49 -0.49 22.68 20.32 0.77 23.09 19.90 3 0 17.14 -999 ? CL CL A 105 >VAL^A 99 1.72 23.43 14.57 2.44 22.47 12.71 2.08 22.95 13.64 3 0 14.15 -999 ? S2 BME A1270 >THR^A 100 -1.98 24.38 14.18 -2.34 26.15 15.46 -2.16 25.27 14.82 2 0 17.37 -999 ? CL CL A 105 >LEU^A 101 -3.82 22.58 10.37 -2.03 21.59 9.65 -2.92 22.08 10.01 3 0 12.88 -999 ? CL CL A 105 >LEU^A 102 -7.73 26.71 10.28 -8.84 27.12 12.08 -8.28 26.92 11.18 3 0 17.61 -999 ? CL CL A 105 >PRO^A 103 -10.36 23.30 7.18 -8.50 24.57 6.88 -9.43 23.93 7.03 3 0 15.26 -999 ? CL CL A 106 >LEU.A 104 -8.05 28.26 3.31 -7.12 29.77 4.51 -7.58 29.02 3.91 3 0 15.43 -999 ? CL CL A 106