REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 28-FEB-08 3CE8 COMPND PUTATIVE PII-LIKE NITROGEN REGULATORY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA BALTICA; SOURCE 3 ORGANISM_TAXID: 325240; SOURCE 4 STRAIN: OS155; SOURCE 5 ATCC: BAA-1091; SOURCE 6 GENE: YP_001048502.1, SBAL_0098; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 65 13 HET MSE A 92 8 HET PO4 A 102 5 HET PO4 A 103 5 HET EDO A 104 4 HET EDO A 105 4 SITE 1 AC1 2 LYS A 61 GLU A 63 SITE 1 AC2 3 ILE A 37 LYS A 61 HOH A 107 SITE 1 AC3 7 THR A 22 GLU A 25 LEU A 26 ALA A 68 SITE 1 AC4 5 GLY A 31 PHE A 32 SER A 33 GLU A 63 >MET?A 1 26.65 -0.08 67.96 27.57 3.17 66.66 27.11 1.54 67.31 2 0 13.76 -999 ? O4 PO4 A 102 >SER.A 2 24.39 -1.51 65.11 22.07 -1.15 64.24 23.23 -1.33 64.68 2 0 12.46 -999 ? O2 EDO A 105 >THR.A 3 24.34 -4.03 62.24 23.47 -5.83 63.00 23.90 -4.93 62.62 2 0 14.78 -999 ? O2 EDO A 105 >GLU^A 4 19.79 -1.87 60.75 19.29 -2.50 58.80 19.54 -2.19 59.77 2 0 8.18 -999 ? O2 EDO A 105 >GLN^A 5 25.62 0.08 57.35 27.62 -0.53 56.90 26.62 -0.22 57.12 2 0 12.70 -999 ? O2 EDO A 105 >LEU^A 6 22.74 5.73 57.27 21.15 7.11 56.76 21.95 6.42 57.02 3 0 6.00 -999 ? C1 EDO A 105 >LEU^A 7 24.27 3.82 51.84 25.41 3.76 50.02 24.84 3.79 50.93 3 0 9.71 -999 ? O2 EDO A 105 >VAL^A 8 24.40 8.42 51.84 24.25 10.20 53.05 24.32 9.31 52.44 3 0 6.22 -999 ? O3 PO4 A 102 >LEU^A 9 24.22 7.68 47.42 24.65 6.80 45.50 24.44 7.24 46.46 3 0 11.82 -999 ? O1 EDO A 105 >ILE^A 10 26.14 13.30 46.63 25.28 14.07 47.38 25.71 13.68 47.00 3 0 9.52 -999 ? O3 PO4 A 103 >ALA^A 11 23.80 11.36 42.76 22.73 10.27 42.70 23.27 10.82 42.73 2 0 12.90 -999 ? O3 PO4 A 103 >GLN^A 12 25.85 12.94 38.89 27.33 13.32 37.43 26.59 13.13 38.16 2 0 17.94 -999 ? O3 PO4 A 103 >ASN.A 13 19.32 15.66 38.47 19.15 16.80 40.30 19.24 16.23 39.38 2 0 12.62 -999 ? O3 PO4 A 103 >ASP.A 14 20.99 12.54 34.24 23.05 12.29 34.64 22.02 12.41 34.44 2 0 17.99 -999 ? O1 EDO A 104 >ILE~A 15 22.18 8.17 37.33 23.57 8.18 37.56 22.88 8.18 37.44 3 0 13.35 -999 ? O1 EDO A 104 >LYS~A 16 18.21 9.51 39.76 15.00 14.63 40.65 16.60 12.07 40.20 2 0 13.24 -999 ? O3 PO4 A 103 >ASP~A 17 14.78 7.46 37.00 13.79 9.33 36.92 14.28 8.40 36.96 2 0 14.54 -999 ? O1 EDO A 104 >ASP~A 18 19.28 4.67 36.64 18.78 5.28 34.67 19.03 4.97 35.66 2 0 11.14 -999 ? O1 EDO A 104 >ILE~A 19 19.76 5.70 41.92 20.88 6.23 42.78 20.32 5.97 42.35 3 0 10.09 -999 ? O1 EDO A 104 >VAL~A 20 15.51 4.39 42.34 13.83 5.77 42.56 14.67 5.08 42.45 3 0 9.75 -999 ? O1 EDO A 104 >ASP~A 21 15.20 1.43 38.57 13.71 2.54 37.51 14.45 1.98 38.04 2 0 8.64 -999 ? O1 EDO A 104 >THR~A 22 17.92 -0.42 41.51 20.04 -0.35 41.28 18.98 -0.38 41.40 2 0 -3.89 -999 ? O1 EDO A 104s >LEU~A 23 16.90 1.58 45.75 18.61 2.76 46.36 17.76 2.17 46.06 3 0 7.84 -999 ? O1 EDO A 104 >ILE~A 24 12.16 -0.23 43.90 11.58 0.58 42.88 11.87 0.18 43.39 3 0 7.96 -999 ? O1 EDO A 104 >GLU.A 25 14.57 -5.29 41.30 12.45 -5.03 41.12 13.51 -5.16 41.21 2 0 -5.85 -999 ? C2 EDO A 104s >LEU.A 26 18.00 -3.97 46.82 19.94 -3.86 45.74 18.97 -3.92 46.28 3 0 -4.48 -999 ? C1 EDO A 104s >GLU.A 27 13.70 -9.19 47.94 13.65 -11.30 47.68 13.67 -10.25 47.81 2 0 8.49 -999 ? O2 EDO A 104 >PHE.A 28 19.51 -6.16 51.02 21.19 -4.94 49.17 20.35 -5.55 50.10 3 0 7.88 -999 ? O2 EDO A 104 >LEU.A 29 16.33 -1.85 50.58 18.25 -1.01 50.08 17.29 -1.43 50.33 3 0 6.72 -999 ? O2 EDO A 105 >SER.A 30 12.74 -1.82 53.60 13.53 -0.94 55.74 13.14 -1.38 54.67 2 0 5.22 -999 ? O2 EDO A 105 >GLY.A 31 12.63 1.66 52.13 13.43 1.44 52.36 13.03 1.55 52.25 1 0 -4.46 -999 ? O2 EDO A 105s >PHE.A 32 15.17 4.39 48.87 13.98 4.26 46.37 14.57 4.33 47.62 3 0 -7.09 -999 ? O2 EDO A 105s >SER^A 33 14.67 8.49 51.18 15.93 9.84 52.78 15.30 9.16 51.98 2 0 -3.52 -999 ? O1 EDO A 105s >LEU^A 34 15.71 10.61 47.35 14.47 10.92 45.69 15.09 10.76 46.52 3 0 8.91 -999 ? O1 EDO A 105 >GLY^A 35 16.11 14.86 48.77 16.71 14.53 48.33 16.41 14.70 48.55 1 0 5.72 -999 ? O3 PO4 A 103 >ASN^A 36 16.65 18.74 45.98 15.67 17.94 44.24 16.16 18.34 45.11 2 0 9.37 -999 ? O3 PO4 A 103 >ILE^A 37 21.71 18.49 48.89 22.22 17.90 48.78 21.97 18.19 48.84 3 0 -5.01 -999 ? O3 PO4 A 103s >CYH^A 38 23.29 21.76 46.43 23.91 24.15 45.53 23.60 22.95 45.98 2 0 10.95 -999 ? O1 PO4 A 103 >GLY^A 39 26.83 20.35 45.99 26.74 20.97 45.54 26.78 20.66 45.77 1 0 10.26 -999 ? O1 PO4 A 103 >PHE^A 40 29.84 24.16 46.50 28.17 26.35 46.59 29.01 25.25 46.55 3 0 13.12 -999 ? O1 PO4 A 103 >SER^A 41 33.51 20.26 44.46 32.23 19.23 42.71 32.87 19.75 43.58 2 0 16.04 -999 ? O1 PO4 A 103 >ARG.A 42 39.09 20.74 45.73 40.21 23.21 47.18 39.65 21.98 46.45 2 0 20.97 -999 ? O1 PO4 A 103 >GLU.A 54 35.99 23.93 44.90 34.61 23.40 46.41 35.30 23.67 45.66 2 0 16.46 -999 ? O1 PO4 A 103 >GLY^A 55 32.50 24.35 40.65 32.56 23.96 41.41 32.53 24.16 41.03 1 0 18.78 -999 ? O1 PO4 A 103 >TYR^A 56 27.76 25.81 42.52 26.14 27.82 41.52 26.95 26.82 42.02 3 0 16.09 -999 ? O1 PO4 A 103 >ARG^A 57 25.07 19.65 38.27 28.11 19.29 38.83 26.59 19.47 38.55 2 0 16.79 -999 ? O3 PO4 A 103 >GLU^A 58 19.81 20.68 42.59 19.54 21.82 44.39 19.68 21.25 43.49 2 0 9.63 -999 ? O3 PO4 A 103 >PHE^A 59 24.67 16.70 43.18 27.08 17.58 42.13 25.87 17.14 42.65 3 0 12.24 -999 ? O3 PO4 A 103 >CYH^A 60 19.91 14.24 44.51 17.87 12.34 44.21 18.89 13.29 44.36 2 0 10.12 -999 ? O3 PO4 A 103 >LYS^A 61 20.72 12.95 47.96 21.84 15.19 53.83 21.28 14.07 50.89 2 0 2.62 -999 ? O3 PO4 A 102s >PHE^A 62 19.26 8.37 46.43 17.92 8.45 44.00 18.59 8.41 45.22 3 0 9.80 -999 ? O1 EDO A 105 >GLU^A 63 20.18 10.09 53.40 20.03 11.20 55.20 20.11 10.65 54.30 2 0 2.95 -999 ? O2 PO4 A 102s >ILE^A 64 20.07 3.52 51.09 20.13 3.21 49.88 20.10 3.37 50.48 3 0 5.90 -999 ? O2 EDO A 105 >MET?A 65 19.36 2.24 55.62 17.62 2.01 59.34 18.49 2.12 57.48 2 0 5.25 -999 ? C2 EDO A 105 >HIS^A 66 22.75 -0.69 53.86 24.60 0.31 53.99 23.67 -0.19 53.92 3 0 8.72 -999 ? O2 EDO A 105 >PRO^A 67 20.43 -5.50 56.02 21.80 -3.76 56.59 21.11 -4.63 56.30 3 0 9.92 -999 ? O2 EDO A 105 >ALA.A 68 26.01 -3.95 57.20 26.82 -3.88 58.55 26.42 -3.92 57.87 2 0 -13.87 -999 ? O2 EDO A 105s >ALA.A 69 26.05 -7.53 55.93 25.23 -8.66 56.53 25.64 -8.10 56.23 2 0 -15.44 -999 ? O2 EDO A 104s >GLN~A 70 22.35 -7.32 53.35 22.17 -9.17 52.37 22.26 -8.25 52.86 2 0 10.57 -999 ? O2 EDO A 104 >GLN~A 71 28.62 -1.67 52.79 30.39 -1.28 53.90 29.50 -1.47 53.34 2 0 -15.36 -999 ? O2 EDO A 105s >ALA~A 72 28.79 -4.99 49.21 29.50 -6.28 49.24 29.15 -5.63 49.23 2 0 -12.54 -999 ? O2 EDO A 104s >ALA~A 73 25.62 -6.13 47.52 24.54 -7.01 48.16 25.08 -6.57 47.84 2 0 7.94 -999 ? O2 EDO A 104 >LEU~A 74 23.93 -1.88 49.13 22.58 -0.15 49.39 23.26 -1.01 49.26 3 0 9.34 -999 ? C1 EDO A 104 >LEU~A 75 28.63 -0.50 47.47 28.96 0.96 49.07 28.80 0.23 48.27 3 0 12.77 -999 ? C1 EDO A 104 >THR~A 76 28.18 -3.08 43.74 28.69 -5.03 44.52 28.44 -4.05 44.13 2 0 10.09 -999 ? C1 EDO A 104 >ALA~A 77 24.52 -2.78 42.57 23.31 -3.14 43.41 23.92 -2.96 42.99 2 0 4.90 -999 ? C1 EDO A 104 >LEU~A 78 24.70 1.86 43.92 22.96 2.34 45.11 23.83 2.10 44.52 3 0 8.80 -999 ? O1 EDO A 104 >ALA~A 79 28.18 1.00 41.16 29.34 0.15 41.60 28.76 0.58 41.38 2 0 11.51 -999 ? C1 EDO A 104 >LEU~A 80 25.55 -1.52 37.93 25.70 -3.51 37.22 25.63 -2.51 37.57 3 0 8.19 -999 ? O1 EDO A 104 >VAL~A 81 24.07 2.56 37.59 22.60 2.53 39.22 23.34 2.54 38.41 3 0 8.53 -999 ? O1 EDO A 104 >CYH~A 82 26.97 4.99 38.03 26.43 5.52 40.65 26.70 5.25 39.34 2 0 12.38 -999 ? O1 EDO A 104 >HIS.A 84 28.94 5.49 31.35 29.53 3.95 30.05 29.23 4.72 30.70 3 0 17.30 -999 ? O1 EDO A 104 >ASN.A 85 26.72 9.41 36.42 25.86 9.91 34.57 26.29 9.66 35.49 2 0 16.97 -999 ? O1 EDO A 104 >PRO.A 86 32.23 9.39 37.93 30.14 9.16 38.76 31.19 9.27 38.34 3 0 18.56 -999 ? O1 EDO A 104 >CYH.A 87 28.64 9.47 42.74 26.30 9.17 41.42 27.47 9.32 42.08 2 0 15.26 -999 ? O1 EDO A 104 >ARG^A 88 32.16 13.42 47.26 34.07 12.17 49.26 33.12 12.80 48.26 2 0 13.63 -999 ? O3 PO4 A 102 >TYR^A 89 29.71 5.97 48.69 31.81 4.12 48.94 30.76 5.04 48.82 3 0 14.22 -999 ? O3 PO4 A 102 >TRP^A 90 28.22 10.15 54.72 27.91 12.81 51.84 28.07 11.48 53.28 3 0 -6.79 -999 ? O3 PO4 A 102s >ILE^A 91 28.78 3.71 54.98 28.49 2.35 54.51 28.63 3.03 54.74 3 0 12.12 -999 ? O4 PO4 A 102 >MET?A 92 27.45 6.13 58.73 26.20 10.10 57.94 26.83 8.12 58.34 2 0 4.56 -999 ? O4 PO4 A 102 >PRO^A 93 28.48 5.34 62.83 27.03 4.60 61.31 27.76 4.97 62.07 3 0 10.19 -999 ? O4 PO4 A 102 >ILE.A 94 22.20 3.16 62.48 21.52 4.25 62.32 21.86 3.71 62.40 3 0 9.30 -999 ? C1 EDO A 105 >TYR.A 95 24.00 4.59 68.71 26.22 5.71 70.00 25.11 5.15 69.36 3 0 13.74 -999 ? O4 PO4 A 102 >GLN.A 96 17.41 1.89 68.20 16.72 2.30 70.16 17.06 2.09 69.18 2 0 14.99 -999 ? C2 EDO A 105 >ASN.A 97 16.88 2.26 62.80 16.54 0.47 61.81 16.71 1.37 62.31 2 0 7.70 -999 ? C2 EDO A 105 >GLY.A 98 12.75 1.36 63.99 12.82 2.09 63.72 12.78 1.72 63.86 1 0 9.49 -999 ? C2 EDO A 105 >THR.A 99 9.24 2.58 63.96 8.15 2.07 62.18 8.69 2.33 63.07 2 0 10.12 -999 ? C2 EDO A 105 >LEU.A 100 7.76 6.04 66.81 9.35 6.61 68.12 8.56 6.33 67.46 3 0 13.90 -999 ? C2 EDO A 105 >SER.A 101 3.68 4.04 66.99 4.27 1.79 66.20 3.97 2.91 66.60 2 0 15.65 -999 ? C2 EDO A 105