REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 15-SEP-10 2XRH COMPND PROTEIN HP0721; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 20-112; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET151/DTOPO AUTHOR G.CIOCI,L.TERRADOT,C.DIAN,C.MULLER-DIECKMANN,G.LEONARD HET NIO A 200 9 SITE 1 AC1 7 GLY A 36 ILE A 43 THR A 47 ARG A 88 >ALA.A 13 -7.41 35.03 10.37 -8.00 33.83 9.62 -7.71 34.43 10.00 2 0 27.38 -999 ? N NIO A 200 >ILE.A 14 -5.89 39.51 8.97 -6.56 40.64 9.35 -6.23 40.08 9.16 3 0 32.45 -999 ? N NIO A 200 >ASP.A 15 -2.72 36.11 12.53 -0.86 35.62 13.41 -1.79 35.86 12.97 2 0 31.65 -999 ? N NIO A 200 >PRO.A 16 0.89 37.61 8.68 -0.36 35.81 9.16 0.27 36.71 8.92 3 0 30.25 -999 ? N NIO A 200 >PHE.A 17 1.44 31.36 13.30 2.44 28.99 14.44 1.94 30.17 13.87 3 0 28.78 -999 ? N NIO A 200 >THR.A 18 0.23 29.09 10.10 -0.27 28.42 8.07 -0.02 28.75 9.09 2 0 23.09 -999 ? N NIO A 200 >MET.A 19 1.19 25.53 11.12 4.34 25.06 12.31 2.77 25.30 11.71 2 0 25.37 -999 ? C1 NIO A 200 >ALA.A 20 -1.54 23.68 9.12 -2.58 24.41 8.25 -2.06 24.05 8.69 2 0 19.83 -999 ? N NIO A 200 >LYS.A 21 -0.74 20.15 7.88 1.72 15.28 7.06 0.49 17.72 7.47 2 0 15.88 -999 ? C1 NIO A 200 >ASP.A 22 -4.27 20.89 5.23 -4.35 23.02 5.58 -4.31 21.96 5.40 2 0 16.65 -999 ? N NIO A 200 >PHE.A 23 -2.91 19.21 0.25 -1.72 16.70 0.39 -2.31 17.96 0.32 3 0 10.15 -999 ? C1 NIO A 200 >SER.A 24 -5.12 24.69 1.87 -4.96 25.14 4.23 -5.04 24.92 3.05 2 0 17.27 -999 ? N NIO A 200 >LYS.A 25 -2.07 26.98 1.30 -2.34 30.70 5.50 -2.20 28.84 3.40 2 0 22.93 -999 ? N NIO A 200 >THR.A 26 -0.66 25.11 -1.72 0.06 23.03 -1.78 -0.30 24.07 -1.75 2 0 14.01 -999 ? C1 NIO A 200 >SER~A 27 -0.97 26.76 -5.13 1.10 26.53 -6.37 0.06 26.64 -5.75 2 0 16.85 -999 ? O2 NIO A 200 >ASP~A 28 -4.01 25.86 -8.86 -5.78 26.68 -8.05 -4.89 26.27 -8.45 2 0 15.38 -999 ? N NIO A 200 >GLU~A 29 2.51 25.27 -10.64 3.84 26.86 -11.16 3.18 26.06 -10.90 2 0 18.42 -999 ? O2 NIO A 200 >ASP~A 30 2.39 23.42 -5.65 4.06 24.67 -6.01 3.23 24.04 -5.83 2 0 16.15 -999 ? O2 NIO A 200 >LEU~A 31 -2.72 21.10 -6.06 -3.67 21.38 -4.10 -3.19 21.24 -5.08 3 0 10.51 -999 ? N NIO A 200 >ALA~A 32 -1.19 19.62 -9.99 -1.37 20.49 -11.21 -1.28 20.06 -10.60 2 0 11.13 -999 ? O2 NIO A 200 >LYS~A 33 2.57 18.87 -9.86 5.97 23.88 -11.45 4.27 21.37 -10.66 2 0 16.89 -999 ? O2 NIO A 200 >MET~A 34 2.13 16.39 -6.98 0.50 17.76 -3.45 1.31 17.08 -5.21 2 0 9.17 -999 ? O2 NIO A 200 >ALA.A 35 -0.47 14.32 -8.87 -1.27 14.69 -10.12 -0.87 14.51 -9.50 2 0 5.59 -999 ? O2 NIO A 200 >GLY.A 36 0.38 10.64 -8.62 0.61 11.15 -8.06 0.50 10.89 -8.34 1 0 -3.71 -999 ? O2 NIO A 200s >VAL.A 37 2.96 11.13 -5.84 4.27 12.54 -6.78 3.62 11.84 -6.31 3 0 6.92 -999 ? O2 NIO A 200 >VAL.A 38 0.78 12.17 -2.90 -0.86 13.65 -2.60 -0.04 12.91 -2.75 3 0 6.06 -999 ? O2 NIO A 200 >ALA~A 39 0.99 9.55 -0.12 1.70 9.72 1.21 1.34 9.63 0.55 2 0 9.73 -999 ? O2 NIO A 200 >PRO~A 40 -0.90 5.60 -0.58 -1.43 7.62 0.24 -1.16 6.61 -0.17 3 0 7.80 -999 ? O1 NIO A 200 >GLN~A 41 -0.09 9.48 4.77 1.62 9.02 5.91 0.77 9.25 5.34 2 0 14.03 -999 ? O2 NIO A 200 >ASP~A 42 -1.62 13.06 2.18 -0.24 13.16 3.78 -0.93 13.11 2.98 2 0 11.68 -999 ? C1 NIO A 200 >ILE~A 43 -5.00 9.92 -1.30 -4.88 9.91 -2.10 -4.94 9.91 -1.70 3 0 -4.86 -999 ? C1 NIO A 200s >VAL~A 44 -8.44 12.05 1.02 -9.94 11.05 2.31 -9.19 11.55 1.67 3 0 8.13 -999 ? N NIO A 200 >ASP~A 45 -6.23 15.87 3.06 -6.89 15.58 5.08 -6.56 15.72 4.07 2 0 11.94 -999 ? N NIO A 200 >TYR~A 46 -4.10 15.51 -3.36 -3.12 16.06 -5.91 -3.61 15.79 -4.63 3 0 5.41 -999 ? C1 NIO A 200 >THR~A 47 -8.80 14.96 -3.23 -9.48 12.99 -3.80 -9.14 13.98 -3.51 2 0 -3.80 -999 ? N NIO A 200s >LYS~A 48 -11.00 17.17 -1.03 -13.10 14.44 4.35 -12.05 15.81 1.66 2 0 12.54 -999 ? N NIO A 200 >GLU~A 49 -6.76 21.77 -1.60 -7.58 23.17 -0.21 -7.17 22.47 -0.91 2 0 13.14 -999 ? N NIO A 200 >LEU~A 50 -8.30 18.18 -6.23 -6.34 17.74 -7.04 -7.32 17.96 -6.63 3 0 6.53 -999 ? N NIO A 200 >LYS~A 51 -12.58 19.21 -5.49 -15.25 14.11 -6.53 -13.92 16.66 -6.01 2 0 8.09 -999 ? C5 NIO A 200 >LYS~A 52 -12.80 22.42 -3.45 -11.06 25.67 1.69 -11.93 24.05 -0.88 2 0 16.74 -999 ? N NIO A 200 >ARG~A 53 -8.00 25.25 -4.45 -5.09 25.40 -3.28 -6.55 25.32 -3.87 2 0 14.34 -999 ? N NIO A 200 >MET~A 54 -12.41 22.81 -9.04 -11.26 19.24 -10.60 -11.83 21.03 -9.82 2 0 9.98 -999 ? N NIO A 200 >GLU~A 55 -16.93 22.14 -5.91 -17.26 21.98 -3.83 -17.10 22.06 -4.87 2 0 14.89 -999 ? C5 NIO A 200 >LYS~A 56 -14.93 27.29 -7.91 -12.50 28.22 -1.94 -13.71 27.75 -4.93 2 0 18.16 -999 ? N NIO A 200 >MET~A 57 -13.43 27.25 -11.36 -9.99 24.91 -11.51 -11.71 26.08 -11.44 2 0 14.82 -999 ? N NIO A 200 >PRO~A 58 -13.44 29.82 -14.91 -14.70 28.19 -14.03 -14.07 29.01 -14.47 3 0 20.71 -999 ? N NIO A 200 >GLU~A 59 -16.53 23.02 -17.89 -16.23 21.55 -16.39 -16.38 22.29 -17.14 2 0 16.83 -999 ? C5 NIO A 200 >ASP~A 60 -12.59 27.31 -20.20 -12.68 29.24 -19.28 -12.64 28.27 -19.74 2 0 22.86 -999 ? N NIO A 200 >LYS~A 61 -10.19 26.49 -16.39 -8.23 29.79 -11.39 -9.21 28.14 -13.89 2 0 19.11 -999 ? N NIO A 200 >ARG~A 62 -14.13 21.10 -13.14 -13.75 18.85 -15.20 -13.94 19.98 -14.17 2 0 13.22 -999 ? C5 NIO A 200 >LYS~A 63 -10.79 21.27 -17.87 -15.63 19.80 -19.88 -13.21 20.53 -18.87 2 0 17.87 -999 ? C5 NIO A 200 >ALA~A 64 -7.31 22.81 -18.20 -7.00 24.30 -18.31 -7.15 23.55 -18.26 2 0 17.69 -999 ? N NIO A 200 >PHE~A 65 -6.67 22.29 -12.07 -5.55 21.77 -9.59 -6.11 22.03 -10.83 3 0 11.59 -999 ? N NIO A 200 >HIS~A 66 -9.68 16.74 -14.77 -10.49 15.00 -13.93 -10.08 15.87 -14.35 3 0 9.59 -999 ? C5 NIO A 200 >LYS~A 67 -5.57 17.99 -18.01 -3.93 20.18 -23.76 -4.75 19.08 -20.89 2 0 19.28 -999 ? O2 NIO A 200 >GLN~A 68 -2.30 21.63 -16.31 -0.76 21.24 -17.72 -1.53 21.43 -17.02 2 0 15.36 -999 ? O2 NIO A 200 >LEU~A 69 -4.80 16.58 -12.44 -5.42 17.47 -10.62 -5.11 17.02 -11.53 3 0 7.89 -999 ? C1 NIO A 200 >HIS~A 70 -5.94 13.40 -16.55 -7.86 12.84 -15.88 -6.90 13.12 -16.22 3 0 9.59 -999 ? C3 NIO A 200 >GLU~A 71 -0.91 16.36 -19.38 -0.57 18.03 -20.59 -0.74 17.19 -19.99 2 0 15.64 -999 ? O2 NIO A 200 >TYR~A 72 2.09 17.64 -13.45 3.30 19.91 -14.41 2.70 18.77 -13.93 3 0 12.26 -999 ? O2 NIO A 200 >ALA~A 73 0.17 11.98 -12.76 -1.29 11.55 -12.60 -0.56 11.77 -12.68 2 0 5.76 -999 ? O2 NIO A 200 >THR~A 74 1.41 10.39 -15.99 0.60 10.17 -17.96 1.00 10.28 -16.98 2 0 11.29 -999 ? O2 NIO A 200 >LYS~A 75 4.95 11.77 -15.88 4.80 17.21 -17.85 4.88 14.49 -16.87 2 0 14.91 -999 ? O2 NIO A 200 >ASN~A 76 4.41 11.89 -11.03 4.83 13.96 -10.76 4.62 12.93 -10.90 2 0 9.39 -999 ? O2 NIO A 200 >THR~A 77 4.33 7.53 -12.44 2.22 7.66 -11.99 3.27 7.60 -12.21 2 0 7.51 -999 ? O2 NIO A 200 >ASP~A 78 6.02 7.47 -17.06 4.53 8.01 -18.40 5.27 7.74 -17.73 2 0 13.64 -999 ? O2 NIO A 200 >LYS.A 79 8.93 5.14 -14.61 9.24 8.34 -18.40 9.08 6.74 -16.51 2 0 16.68 -999 ? O2 NIO A 200 >MET.A 80 7.52 3.41 -11.55 4.80 5.34 -9.10 6.16 4.38 -10.32 2 0 9.22 -999 ? O1 NIO A 200 >THR~A 81 7.27 -0.36 -11.66 8.60 -1.31 -10.22 7.93 -0.83 -10.94 2 0 15.86 -999 ? O1 NIO A 200 >VAL~A 82 3.81 -1.83 -12.03 2.71 -2.81 -13.60 3.26 -2.32 -12.81 3 0 13.77 -999 ? O1 NIO A 200 >ALA~A 83 4.28 -3.54 -8.68 5.41 -4.44 -8.23 4.84 -3.99 -8.45 2 0 15.63 -999 ? O1 NIO A 200 >ASP~A 84 6.22 0.55 -6.98 7.92 -0.36 -6.17 7.07 0.09 -6.57 2 0 14.54 -999 ? O1 NIO A 200 >PHE~A 85 1.02 2.68 -10.70 -1.07 4.28 -11.62 -0.02 3.48 -11.16 3 0 7.12 -999 ? O1 NIO A 200 >GLU~A 86 -1.95 -3.07 -8.24 -2.36 -5.05 -8.93 -2.15 -4.06 -8.58 2 0 13.38 -999 ? O1 NIO A 200 >ALA~A 87 0.53 -1.08 -4.38 1.93 -1.32 -3.76 1.23 -1.20 -4.07 2 0 11.65 -999 ? O1 NIO A 200 >ARG~A 88 1.02 6.18 -5.29 -1.01 8.48 -5.94 0.01 7.33 -5.61 2 0 -2.99 -999 ? O2 NIO A 200s >GLN~A 89 -2.75 3.16 -8.75 -3.25 5.18 -8.40 -3.00 4.17 -8.58 2 0 -3.21 -999 ? O1 NIO A 200s >LYS~A 90 -4.73 -0.16 -4.07 -3.36 -5.99 -6.01 -4.04 -3.08 -5.04 2 0 14.22 -999 ? O1 NIO A 200 >ALA~A 91 -3.90 1.85 -0.96 -2.48 2.14 -0.39 -3.19 1.99 -0.67 2 0 9.29 -999 ? O1 NIO A 200 >VAL~A 92 -5.36 4.99 -2.54 -4.78 6.54 -3.98 -5.07 5.76 -3.26 3 0 4.90 -999 ? O1 NIO A 200 >LYS~A 93 -8.58 3.13 -3.39 -10.25 -2.40 -5.52 -9.42 0.37 -4.45 2 0 12.30 -999 ? C3 NIO A 200 >GLU~A 94 -8.06 -0.46 0.22 -10.04 -1.15 0.31 -9.05 -0.81 0.26 2 0 13.32 -999 ? C4 NIO A 200 >ALA~A 95 -8.11 5.29 1.68 -6.83 6.12 1.53 -7.47 5.71 1.60 2 0 9.33 -999 ? N NIO A 200 >LEU~A 96 -10.78 6.93 -2.03 -9.86 8.44 -3.29 -10.32 7.69 -2.66 3 0 5.50 -999 ? C5 NIO A 200 >LYS~A 97 -13.29 4.24 0.55 -12.18 3.78 -3.54 -12.73 4.01 -1.49 2 0 8.20 -999 ? C4 NIO A 200 >LYS~A 98 -12.57 4.91 4.21 -8.96 1.25 5.14 -10.76 3.08 4.68 2 0 14.98 -999 ? C4 NIO A 200 >GLY~A 99 -12.88 8.60 3.76 -13.39 8.06 3.40 -13.13 8.33 3.58 1 0 11.64 -999 ? C5 NIO A 200 >ASN.A 100 -17.35 8.39 3.23 -17.39 7.03 4.87 -17.37 7.71 4.05 2 0 15.30 -999 ? C5 NIO A 200 >MET.A 101 -15.11 9.45 -1.13 -13.74 12.36 0.03 -14.43 10.90 -0.55 2 0 8.95 -999 ? C5 NIO A 200 >GLU.A 102 -17.30 9.82 -6.98 -17.71 11.62 -8.01 -17.50 10.72 -7.49 2 0 9.95 -999 ? C5 NIO A 200 >ASP.A 103 -15.50 4.76 -6.86 -17.04 3.99 -5.73 -16.27 4.38 -6.29 2 0 10.99 -999 ? C4 NIO A 200 >MET.A 104 -11.85 6.29 -8.68 -7.79 5.48 -8.06 -9.82 5.89 -8.37 2 0 -3.92 -999 ? C3 NIO A 200s >ASP.A 105 -13.50 7.30 -13.18 -14.76 8.92 -12.51 -14.13 8.11 -12.84 2 0 8.83 -999 ? C4 NIO A 200 >ASP.A 106 -9.51 5.15 -14.48 -10.15 7.21 -14.53 -9.83 6.18 -14.51 2 0 8.02 -999 ? C4 NIO A 200 >ASP.A 107 -7.68 0.69 -11.44 -9.18 -0.45 -10.42 -8.43 0.12 -10.93 2 0 10.37 -999 ? C3 NIO A 200 >PHE~A 108 -3.78 2.71 -15.15 -2.65 0.44 -16.47 -3.21 1.58 -15.81 3 0 10.74 -999 ? O1 NIO A 200 >GLY~A 109 -6.14 6.89 -11.10 -6.01 6.84 -11.87 -6.07 6.86 -11.49 1 0 4.22 -999 ? C3 NIO A 200 >LEU~A 110 -4.67 11.45 -11.41 -5.78 12.97 -10.31 -5.23 12.21 -10.86 3 0 4.43 -999 ? C2 NIO A 200 >ARG~A 111 -0.62 6.08 -14.73 1.56 6.42 -16.94 0.47 6.25 -15.83 2 0 11.13 -999 ? O1 NIO A 200 >SER~A 112 -6.11 8.37 -17.13 -6.76 6.68 -15.51 -6.44 7.52 -16.32 2 0 8.35 -999 ? C3 NIO A 200