REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-SEP-08 3EN8 COMPND UNCHARACTERIZED NTF-2 LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; SOURCE 3 ORGANISM_TAXID: 266265; SOURCE 4 GENE: YP_553245.1, BXENO_B0927, BXE_B2092; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 48 16 HET MSE A 95 8 HET CA A 128 1 HET ACT A 129 8 HET PEG A 130 7 HET PG4 A 131 26 SITE 1 AC1 5 ASP A 30 ASP A 31 ASP A 32 HOH A 178 SITE 1 AC2 5 ILE A 34 VAL A 103 HOH A 155 HOH A 226 SITE 1 AC3 3 LEU A 53 HIS A 56 TRP A 122 SITE 1 AC4 6 ALA A 89 PHE A 109 ASP A 111 PHE A 113 >GLY.A 0 10.41 -13.83 21.99 10.23 -13.19 22.55 10.32 -13.51 22.27 1 0 24.38 -999 ? O AACT A 129 >MET?A 1 12.25 -10.81 20.72 15.33 -10.59 21.96 13.79 -10.70 21.34 2 0 25.63 -999 ? O AACT A 129 >GLU.A 3 6.51 -6.31 22.06 5.51 -6.80 23.86 6.01 -6.56 22.96 2 0 19.18 -999 ? O AACT A 129 >GLU.A 4 13.01 -6.55 24.19 13.54 -4.69 25.04 13.27 -5.62 24.61 2 0 23.90 -999 ? O AACT A 129 >LYS.A 5 13.30 -5.59 18.16 14.47 -11.56 16.46 13.88 -8.58 17.31 2 0 23.16 -999 ? O BACT A 129 >ILE.A 6 9.19 -2.84 17.73 7.84 -2.70 17.20 8.51 -2.77 17.47 3 0 14.96 -999 ? O AACT A 129 >ARG.A 7 12.46 -0.85 24.57 9.97 0.38 25.88 11.21 -0.24 25.23 2 0 21.28 -999 ? O AACT A 129 >GLU.A 8 17.81 -2.43 18.18 18.66 -4.25 17.54 18.24 -3.34 17.86 2 0 23.96 -999 ? O BACT A 129 >ALA.A 9 14.39 0.19 15.87 13.28 -0.47 15.02 13.83 -0.14 15.44 2 0 17.28 -999 ? CH3AACT A 129 >LEU.A 10 11.61 2.86 18.84 9.53 3.03 18.49 10.57 2.94 18.66 3 0 16.59 -999 ? O AACT A 129 >ASN.A 11 16.69 2.90 20.62 15.79 2.29 22.45 16.24 2.59 21.54 2 0 22.31 -999 ? O5 APG4 A 131 >ALA.A 12 17.68 4.17 16.45 18.01 2.97 15.54 17.85 3.57 16.00 2 0 20.79 -999 ? O5 APG4 A 131 >HIS.A 13 12.41 6.84 14.53 11.15 8.25 13.63 11.78 7.55 14.08 3 0 13.53 -999 ? O5 APG4 A 131 >TRP.A 14 12.50 7.14 19.69 10.13 9.50 17.64 11.32 8.32 18.67 3 0 13.99 -999 ? O5 APG4 A 131 >GLN.A 15 19.91 7.10 19.15 20.97 8.36 20.53 20.44 7.73 19.84 2 0 20.40 -999 ? O5 APG4 A 131 >ALA.A 16 18.55 9.58 13.95 17.95 8.67 12.91 18.25 9.13 13.43 2 0 16.22 -999 ? O5 APG4 A 131 >SER.A 17 16.08 12.38 14.64 13.96 11.21 15.05 15.02 11.80 14.84 2 0 11.88 -999 ? O5 APG4 A 131 >ALA.A 18 18.34 13.99 17.20 18.79 13.39 18.52 18.57 13.69 17.86 2 0 15.44 -999 ? O5 APG4 A 131 >ALA.A 19 21.31 13.65 14.81 21.95 12.30 14.57 21.63 12.98 14.69 2 0 17.65 -999 ? O5 APG4 A 131 >GLY.A 20 19.40 15.03 11.84 19.78 14.29 11.87 19.59 14.66 11.86 1 0 14.14 -999 ? O5 APG4 A 131 >ASP~A 21 20.85 10.65 10.47 21.44 9.25 8.97 21.14 9.95 9.72 2 0 18.46 -999 ? O2 PEG A 130 >PHE~A 22 16.71 14.58 7.52 16.98 17.06 8.72 16.85 15.82 8.12 3 0 11.95 -999 ? O2 PEG A 130 >ASP~A 23 18.94 8.49 5.17 19.05 9.34 3.25 18.99 8.91 4.21 2 0 14.18 -999 ? C4 PEG A 130 >ALA~A 24 18.13 6.89 9.12 19.31 7.02 10.11 18.72 6.95 9.62 2 0 18.49 -999 ? O5 APG4 A 131 >GLU~A 25 13.85 10.61 11.60 13.64 12.69 11.71 13.75 11.65 11.66 2 0 10.35 -999 ? O5 APG4 A 131 >HIS~A 26 12.09 9.57 7.35 11.69 11.44 8.22 11.89 10.51 7.79 3 0 11.54 -999 ? O4 PEG A 130 >ASP.A 27 15.56 3.24 7.93 17.03 3.89 6.51 16.30 3.57 7.22 2 0 16.10 -999 ? CA CA A 128 >ILE.A 28 11.39 3.19 11.65 10.69 3.47 12.91 11.04 3.33 12.28 3 0 13.78 -999 ? CH3AACT A 129 >TYR^A 29 8.23 5.89 8.52 8.40 7.80 10.56 8.32 6.84 9.54 3 0 11.07 -999 ? CH3AACT A 129 >ASP^A 30 5.15 0.93 5.63 4.46 -0.08 3.92 4.81 0.43 4.78 2 0 -5.96 -999 ? CA CA A 128s >ASP^A 31 6.98 2.36 0.72 5.30 1.23 0.05 6.14 1.80 0.39 2 0 -2.58 -999 ? CA CA A 128s >ASP^A 32 2.03 3.07 1.72 2.60 2.39 -0.15 2.32 2.73 0.78 2 0 -2.49 -999 ? CA CA A 128s >ALA^A 33 3.28 5.13 5.93 4.59 5.36 6.76 3.94 5.24 6.35 2 0 6.79 -999 ? CH3AACT A 129 >ILE^A 34 -0.63 7.81 6.78 -1.87 7.08 6.61 -1.25 7.45 6.69 3 0 -4.35 -999 ? OXTBACT A 129s >CYH^A 35 1.68 10.64 9.46 3.58 11.93 11.02 2.63 11.28 10.24 2 0 8.17 -999 ? C8 APG4 A 131 >ASP^A 36 -2.33 11.92 11.57 -3.27 10.70 10.13 -2.80 11.31 10.85 2 0 7.35 -999 ? OXTAACT A 129 >TYR.A 37 1.07 16.95 11.86 3.63 16.56 10.85 2.35 16.75 11.36 3 0 4.13 -999 ? C8 APG4 A 131 >PRO.A 38 -4.03 13.84 15.40 -3.81 15.86 14.43 -3.92 14.85 14.91 3 0 10.16 -999 ? C8 APG4 A 131 >GLN.A 39 -2.44 19.48 17.97 -0.44 19.83 18.61 -1.44 19.65 18.29 2 0 5.13 -999 ? O2 APG4 A 131 >SER.A 40 -4.00 20.83 12.31 -2.03 19.99 11.24 -3.01 20.41 11.78 2 0 6.51 -999 ? C7 APG4 A 131 >GLY.A 41 -5.99 18.09 10.55 -5.19 18.24 10.41 -5.59 18.17 10.48 1 0 10.88 -999 ? C7 APG4 A 131 >GLU.A 42 -1.93 19.63 8.12 -0.15 20.69 8.33 -1.04 20.16 8.22 2 0 6.13 -999 ? C7 APG4 A 131 >ARG^A 43 -3.98 10.70 6.09 -5.80 9.03 7.90 -4.89 9.86 6.99 2 0 5.76 -999 ? OXTAACT A 129 >ILE^A 44 2.52 13.52 5.78 3.68 14.30 5.96 3.10 13.91 5.87 3 0 8.39 -999 ? O4 PEG A 130 >LEU^A 45 -0.03 10.07 1.79 -2.24 10.19 2.07 -1.14 10.13 1.93 3 0 8.85 -999 ? OXTBACT A 129 >GLY~A 46 4.31 8.21 2.16 4.32 8.68 2.76 4.31 8.44 2.46 1 0 8.36 -999 ? CA CA A 128 >ARG~A 47 10.77 5.20 3.50 13.26 6.97 3.80 12.02 6.08 3.65 2 0 12.34 -999 ? O4 PEG A 130 >MET?A 48 9.43 9.93 0.90 10.77 8.10 -2.80 10.10 9.01 -0.95 2 0 9.55 -999 ? O4 PEG A 130 >ASN~A 49 5.46 12.86 1.08 4.95 13.21 -0.96 5.20 13.03 0.06 2 0 4.30 -999 ? O4 PEG A 130 >LEU~A 50 7.06 11.31 5.98 6.44 11.38 8.05 6.75 11.35 7.02 3 0 9.51 -999 ? O4 PEG A 130 >GLN~A 51 13.50 11.99 4.33 14.86 10.42 3.89 14.18 11.20 4.11 2 0 10.90 -999 ? O4 PEG A 130 >ALA~A 52 11.26 15.54 2.44 10.71 15.51 1.00 10.98 15.53 1.72 2 0 3.78 -999 ? C4 PEG A 130 >LEU~A 53 7.34 17.28 4.71 5.69 17.80 3.36 6.51 17.54 4.04 3 0 -4.75 -999 ? C3 PEG A 130s >ARG~A 54 9.60 13.90 9.74 8.17 11.65 11.16 8.88 12.78 10.45 2 0 8.42 -999 ? O5 APG4 A 131 >SER~A 55 14.05 17.69 6.12 15.05 15.61 5.45 14.55 16.65 5.78 2 0 9.08 -999 ? O2 PEG A 130 >HIS~A 56 11.40 22.33 3.13 11.01 24.24 2.37 11.20 23.28 2.75 3 0 -3.91 -999 ? O1 PEG A 130s >HIS~A 57 10.09 24.42 8.58 9.70 25.70 10.20 9.90 25.06 9.39 3 0 6.71 -999 ? O4 BPG4 A 131 >PRO.A 58 10.72 21.16 12.44 11.25 21.99 10.40 10.99 21.57 11.42 3 0 5.36 -999 ? O5 APG4 A 131 >GLY.A 59 14.73 20.22 9.95 14.29 20.26 10.66 14.51 20.24 10.31 1 0 9.03 -999 ? O5 APG4 A 131 >LYS.A 60 17.09 18.97 12.65 22.84 18.18 14.88 19.96 18.58 13.77 2 0 17.01 -999 ? O5 APG4 A 131 >PRO.A 61 15.77 17.68 16.64 16.20 19.59 15.58 15.98 18.63 16.11 3 0 10.62 -999 ? O5 APG4 A 131 >ALA.A 62 18.55 22.15 18.20 18.40 23.68 18.50 18.47 22.92 18.35 2 0 12.20 -999 ? O1 BPG4 A 131 >GLY^A 63 17.61 19.99 21.19 17.13 19.80 20.51 17.37 19.89 20.85 1 0 12.07 -999 ? O1 BPG4 A 131 >PHE^A 64 15.55 14.48 20.03 13.90 12.27 19.67 14.73 13.37 19.85 3 0 13.02 -999 ? O5 APG4 A 131 >GLU^A 65 15.77 14.14 27.02 16.07 15.51 28.62 15.92 14.82 27.82 2 0 15.54 -999 ? O1 BPG4 A 131 >VAL^A 66 13.42 10.98 24.85 13.24 9.07 23.80 13.33 10.03 24.32 3 0 16.27 -999 ? O1 BPG4 A 131 >ARG^A 67 8.11 12.58 29.69 8.02 13.91 32.48 8.07 13.25 31.09 2 0 15.92 -999 ? C1 APG4 A 131 >ARG^A 68 7.05 6.19 30.23 5.23 4.31 31.79 6.14 5.25 31.01 2 0 22.64 -999 ? C2 APG4 A 131 >ILE^A 69 9.99 4.24 24.27 10.77 4.14 23.13 10.38 4.19 23.70 3 0 19.64 -999 ? O5 APG4 A 131 >GLN^A 70 5.16 3.46 27.99 3.37 4.00 28.95 4.26 3.73 28.47 2 0 21.03 -999 ? O AACT A 129 >GLY^A 71 4.89 -0.42 23.65 4.92 -0.74 24.41 4.90 -0.58 24.03 1 0 16.76 -999 ? O AACT A 129 >GLU^A 72 1.06 -4.95 24.44 2.20 -6.39 25.44 1.63 -5.67 24.94 2 0 19.13 -999 ? O AACT A 129 >GLY.A 73 2.68 -5.70 20.28 3.04 -4.96 20.40 2.86 -5.33 20.34 1 0 14.73 -999 ? O AACT A 129 >ASN.A 74 1.61 -3.81 16.07 2.51 -5.43 15.03 2.06 -4.62 15.55 2 0 10.95 -999 ? O AACT A 129 >LEU^A 75 0.05 -0.25 20.12 -1.26 1.47 20.37 -0.61 0.61 20.24 3 0 11.57 -999 ? O AACT A 129 >TRP^A 76 5.09 -0.62 18.97 7.68 -1.51 21.75 6.38 -1.07 20.36 3 0 14.97 -999 ? O AACT A 129 >ILE^A 77 3.10 5.61 23.17 1.89 5.78 23.67 2.49 5.70 23.42 3 0 15.86 -999 ? O AACT A 129 >THR^A 78 7.13 7.80 22.48 9.02 7.57 21.41 8.08 7.68 21.95 2 0 15.37 -999 ? O5 APG4 A 131 >GLU^A 79 5.18 10.21 26.38 4.84 9.83 28.37 5.01 10.02 27.37 2 0 16.14 -999 ? C2 APG4 A 131 >TYR^A 80 10.05 12.83 21.31 8.95 13.15 18.74 9.50 12.99 20.03 3 0 10.68 -999 ? O5 APG4 A 131 >SER^A 81 11.02 16.79 23.82 10.70 17.26 26.18 10.86 17.02 25.00 2 0 10.12 -999 ? O1 APG4 A 131 >ILE^A 82 11.52 18.44 19.43 10.44 17.91 18.58 10.98 18.17 19.00 3 0 7.61 -999 ? O1 BPG4 A 131 >SER^A 83 13.41 22.30 20.86 14.21 23.93 22.52 13.81 23.12 21.69 2 0 8.26 -999 ? O1 BPG4 A 131 >TYR^A 84 13.28 23.85 16.47 13.17 21.42 15.10 13.23 22.64 15.78 3 0 8.28 -999 ? O1 BPG4 A 131 >ASN.A 85 14.13 29.47 18.68 14.50 29.32 16.60 14.32 29.39 17.64 2 0 10.32 -999 ? O1 BPG4 A 131 >GLY.A 86 14.94 27.85 23.18 14.32 27.74 22.63 14.63 27.79 22.90 1 0 9.90 -999 ? O1 BPG4 A 131 >PRO^A 88 10.48 23.90 25.91 10.67 24.01 23.69 10.57 23.96 24.80 3 0 6.23 -999 ? O1 APG4 A 131 >ALA^A 89 7.71 21.10 22.65 7.35 21.02 21.21 7.53 21.06 21.93 2 0 -3.42 -999 ? O1 BPG4 A 131s >TYR^A 90 6.45 18.70 27.19 7.96 19.49 29.42 7.20 19.09 28.31 3 0 9.44 -999 ? C1 APG4 A 131 >THR^A 91 5.89 15.73 21.89 6.86 16.28 20.00 6.37 16.01 20.94 2 0 7.61 -999 ? C2 APG4 A 131 >VAL^A 92 4.02 12.46 21.56 2.39 11.84 22.92 3.20 12.15 22.24 3 0 11.53 -999 ? C2 APG4 A 131 >SER^A 93 4.45 10.08 18.72 5.86 8.95 17.01 5.16 9.52 17.86 2 0 11.68 -999 ? O5 APG4 A 131 >ILE^A 94 0.42 7.45 18.68 -0.80 7.56 19.22 -0.19 7.50 18.95 3 0 11.74 -999 ? O AACT A 129 >MET?A 95 3.15 4.52 16.09 7.29 5.39 15.72 5.22 4.96 15.90 2 0 12.67 -999 ? O AACT A 129 >GLU^A 96 -0.93 2.42 14.97 -2.55 3.22 13.92 -1.74 2.82 14.45 2 0 5.13 -999 ? O AACT A 129 >PHE^A 97 5.75 -0.86 14.55 7.79 0.89 15.23 6.77 0.01 14.89 3 0 11.47 -999 ? O AACT A 129 >ASN.A 99 5.43 -6.82 8.41 3.73 -8.10 8.15 4.58 -7.46 8.28 2 0 11.79 -999 ? O BACT A 129 >GLY.A 100 8.16 -4.46 11.72 7.68 -4.07 11.21 7.92 -4.26 11.46 1 0 12.93 -999 ? O BACT A 129 >LYS^A 101 7.51 -1.19 9.98 12.70 -1.02 8.19 10.10 -1.11 9.08 2 0 13.70 -999 ? CA CA A 128 >VAL^A 102 5.51 1.92 10.89 5.97 3.64 12.14 5.74 2.78 11.51 3 0 8.67 -999 ? CH3AACT A 129 >VAL^A 103 2.33 2.18 8.85 1.34 0.20 8.98 1.84 1.19 8.92 3 0 -4.32 -999 ? CH3AACT A 129s >HIS^A 104 -1.72 5.83 11.19 -3.20 7.32 11.40 -2.46 6.57 11.29 3 0 4.52 -999 ? OXTAACT A 129 >GLU^A 105 4.19 9.10 13.81 6.21 9.69 13.47 5.20 9.39 13.64 2 0 10.08 -999 ? O5 APG4 A 131 >THR^A 106 0.24 10.33 14.88 -1.86 10.06 15.26 -0.81 10.19 15.07 2 0 9.80 -999 ? OXTAACT A 129 >GLN^A 107 4.46 12.75 15.48 6.10 13.56 14.33 5.28 13.15 14.90 2 0 6.43 -999 ? O5 APG4 A 131 >TYR^A 108 -1.05 14.86 19.74 -3.54 13.83 19.03 -2.30 14.35 19.39 3 0 10.70 -999 ? C4 APG4 A 131 >PHE^A 109 4.20 18.74 17.51 5.02 17.07 15.43 4.61 17.90 16.47 3 0 -4.11 -999 ? C8 APG4 A 131s >SER^A 110 2.38 20.49 23.17 2.59 18.92 25.02 2.49 19.71 24.10 2 0 7.07 -999 ? C1 APG4 A 131 >ASP.A 111 2.96 24.88 25.07 3.01 25.68 23.15 2.98 25.28 24.11 2 0 -3.39 -999 ? C1 APG4 A 131s >PRO.A 112 6.98 24.21 27.80 4.87 23.53 27.99 5.93 23.87 27.89 3 0 7.30 -999 ? C1 APG4 A 131 >PHE.A 113 0.48 23.47 31.60 -0.56 21.09 32.55 -0.04 22.28 32.08 3 0 -12.47 -999 ? C1 APG4 A 131s >GLU.A 114 4.29 28.34 34.54 6.21 27.67 35.11 5.25 28.01 34.83 2 0 -14.92 -999 ? C1 APG4 A 131s >ALA.A 115 1.95 23.84 37.62 2.83 22.98 38.51 2.39 23.41 38.07 2 0 17.95 -999 ? C1 APG4 A 131 >PRO~A 116 -2.32 24.39 37.64 -0.56 25.27 38.78 -1.44 24.83 38.21 3 0 18.58 -999 ? C1 APG4 A 131 >GLY~A 117 -0.63 26.97 42.67 -1.27 26.56 42.35 -0.95 26.77 42.51 1 0 22.80 -999 ? C1 APG4 A 131 >TRP~A 118 -5.46 25.49 40.53 -7.44 22.19 41.34 -6.45 23.84 40.93 3 0 23.12 -999 ? C1 APG4 A 131 >ARG~A 119 -3.47 20.56 39.96 -3.47 21.02 36.95 -3.47 20.79 38.46 2 0 -18.47 -999 ? C1 APG4 A 131s >SER~A 120 0.31 22.35 44.69 0.53 24.21 46.25 0.42 23.28 45.47 2 0 25.90 -999 ? C1 APG4 A 131 >GLN~A 121 -1.48 22.88 49.19 -2.87 23.70 50.60 -2.17 23.29 49.89 2 0 30.85 -999 ? C1 APG4 A 131 >TRP~A 122 -4.39 17.47 48.18 -5.92 21.09 48.21 -5.15 19.28 48.19 3 0 -29.61 -999 ? C1 APG4 A 131s >VAL~A 123 0.72 17.15 43.57 0.28 18.68 42.09 0.50 17.91 42.83 3 0 23.36 -999 ? C1 APG4 A 131 >GLN.A 124 6.01 14.08 43.82 6.44 12.01 44.01 6.22 13.04 43.92 2 0 26.32 -999 ? C1 APG4 A 131 >GLN.A 125 8.15 19.58 40.40 7.36 20.01 38.44 7.76 19.79 39.42 2 0 18.39 -999 ? C1 APG4 A 131 >ILE.A 126 7.73 13.66 38.95 6.62 12.86 38.66 7.17 13.26 38.81 3 0 21.24 -999 ? C1 APG4 A 131 >GLY.A 127 9.64 16.88 36.25 9.08 16.26 36.25 9.36 16.57 36.25 1 0 17.79 -999 ? O1 APG4 A 131