REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-MAR-07 2P2E COMPND PUTATIVE FE-S BIOSYNTHESIS PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PUTATIVE FE-S CLUSTER ASSEMBLY PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SALIVARIUS; SOURCE 3 ORGANISM_TAXID: 362948; SOURCE 4 STRAIN: UCC118; SOURCE 5 GENE: LSL_1730; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODON+RIL; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PSGX3(BC) AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 58 8 HET MSE A 83 8 HET MSE A 85 8 HET MSE A 89 8 HET MSE A 111 8 >LEU.A 3 61.12 40.25 11.11 59.27 39.76 12.08 60.20 40.00 11.59 3 0 1000.00 -999 ? >LYS^A 4 65.53 39.38 10.45 66.64 40.55 15.15 66.09 39.97 12.80 2 0 1000.00 -999 ? >ILE^A 5 65.43 36.93 6.51 64.41 36.27 5.66 64.92 36.60 6.09 3 0 1000.00 -999 ? >THR^A 6 69.64 35.19 6.83 71.21 34.58 8.18 70.43 34.89 7.51 2 0 1000.00 -999 ? >VAL^A 7 70.05 34.05 3.22 68.98 35.02 1.58 69.51 34.54 2.40 3 0 1000.00 -999 ? >THR~A 8 72.65 31.32 2.53 71.68 29.38 2.59 72.16 30.35 2.56 2 0 1000.00 -999 ? >ASP~A 9 76.59 31.29 -0.32 77.80 32.47 0.98 77.19 31.88 0.33 2 0 1000.00 -999 ? >ASP~A 10 73.14 27.72 -2.28 74.94 26.67 -2.12 74.04 27.19 -2.20 2 0 1000.00 -999 ? >ALA~A 11 70.02 30.91 -1.95 69.30 30.94 -0.61 69.66 30.92 -1.28 2 0 1000.00 -999 ? >ALA~A 12 71.30 34.42 -2.56 72.42 35.11 -1.80 71.86 34.76 -2.18 2 0 1000.00 -999 ? >LYS~A 13 72.89 33.26 -5.80 75.30 32.45 -10.23 74.09 32.85 -8.01 2 0 1000.00 -999 ? >LYS~A 14 69.53 31.90 -6.96 65.61 28.03 -7.86 67.57 29.96 -7.41 2 0 1000.00 -999 ? >LEU~A 15 67.65 35.63 -4.66 65.86 35.09 -3.57 66.76 35.36 -4.11 3 0 1000.00 -999 ? >GLN~A 16 73.26 37.60 -8.29 75.15 36.61 -8.23 74.21 37.10 -8.26 2 0 1000.00 -999 ? >ARG~A 17 70.30 35.94 -13.20 68.71 35.72 -15.83 69.51 35.83 -14.51 2 0 1000.00 -999 ? >TYR~A 18 64.58 37.76 -8.96 63.47 35.56 -10.27 64.03 36.66 -9.61 3 0 1000.00 -999 ? >THR~A 19 68.29 41.57 -6.46 69.23 40.24 -5.01 68.76 40.90 -5.74 2 0 1000.00 -999 ? >ASP~A 20 71.00 41.95 -10.50 72.76 41.02 -9.77 71.88 41.49 -10.13 2 0 1000.00 -999 ? >ASP.A 21 65.89 44.07 -11.02 64.65 45.34 -12.18 65.27 44.70 -11.60 2 0 1000.00 -999 ? >SER.A 22 67.56 48.21 -9.17 69.62 49.10 -10.10 68.59 48.65 -9.63 2 0 1000.00 -999 ? >ASN.A 23 63.40 48.79 -11.43 61.95 50.35 -11.58 62.68 49.57 -11.50 2 0 1000.00 -999 ? >ALA^A 24 63.02 45.36 -8.11 63.64 44.06 -8.59 63.33 44.71 -8.35 2 0 1000.00 -999 ? >VAL^A 25 61.57 44.83 -4.64 60.49 46.44 -3.61 61.03 45.63 -4.12 3 0 1000.00 -999 ? >LEU^A 26 62.40 40.81 -2.20 63.73 39.64 -3.42 63.07 40.23 -2.81 3 0 1000.00 -999 ? >LEU^A 27 56.78 40.85 -1.50 56.14 42.81 -2.09 56.46 41.83 -1.80 3 0 1000.00 -999 ? >LEU^A 28 58.27 37.59 2.97 58.63 35.68 3.90 58.45 36.64 3.43 3 0 1000.00 -999 ? >ASP^A 29 53.45 37.22 -0.65 51.35 37.11 -0.83 52.40 37.16 -0.74 2 0 1000.00 -999 ? >PHE^A 30 50.34 34.67 5.05 49.29 32.52 6.50 49.81 33.59 5.78 3 0 1000.00 -999 ? >ASP.A 31 49.53 32.71 -0.74 48.54 32.66 -2.56 49.04 32.69 -1.65 2 0 1000.00 -999 ? >ASP.A 32 45.68 34.95 3.02 46.53 36.87 3.30 46.10 35.91 3.16 2 0 1000.00 -999 ? >GLY.A 33 44.05 36.73 -1.08 44.47 37.06 -0.46 44.26 36.89 -0.77 1 0 1000.00 -999 ? >VAL.A 34 44.54 39.87 0.99 44.10 40.17 3.10 44.32 40.02 2.05 3 0 1000.00 -999 ? >GLY~A 35 46.25 42.78 -0.78 45.64 42.42 -1.20 45.94 42.60 -0.99 1 0 1000.00 -999 ? >ALA~A 36 46.12 44.39 -4.22 46.51 45.83 -4.55 46.32 45.11 -4.39 2 0 1000.00 -999 ? >LEU~A 37 50.37 42.08 -4.69 51.65 43.82 -4.39 51.01 42.95 -4.54 3 0 1000.00 -999 ? >SER~A 38 46.90 39.03 -4.83 45.19 37.58 -3.94 46.04 38.30 -4.39 2 0 1000.00 -999 ? >LYS~A 39 44.82 40.38 -7.77 42.65 41.47 -2.87 43.73 40.93 -5.32 2 0 1000.00 -999 ? >VAL~A 40 47.91 40.15 -9.93 49.24 41.82 -10.45 48.58 40.98 -10.19 3 0 1000.00 -999 ? >GLY.A 41 49.28 36.78 -11.02 48.63 36.91 -10.61 48.96 36.84 -10.81 1 0 1000.00 -999 ? >VAL.A 42 48.52 33.27 -9.75 49.38 31.43 -10.54 48.95 32.35 -10.15 3 0 1000.00 -999 ? >CYH.A 43 47.10 32.69 -6.28 46.87 35.28 -5.29 46.99 33.98 -5.78 2 0 1000.00 -999 ? >SER.A 44 47.08 29.49 -4.30 49.14 28.80 -5.35 48.11 29.14 -4.82 2 0 1000.00 -999 ? >LEU.A 45 43.61 31.60 -1.72 43.29 33.38 -2.93 43.45 32.49 -2.32 3 0 1000.00 -999 ? >ASN.A 46 46.78 27.02 0.46 48.79 27.28 -0.14 47.79 27.15 0.16 2 0 1000.00 -999 ? >SER.A 47 47.59 30.96 3.22 46.28 29.70 4.83 46.94 30.33 4.03 2 0 1000.00 -999 ? >ASP.A 48 51.35 28.68 1.78 51.66 26.98 2.93 51.50 27.83 2.36 2 0 1000.00 -999 ? >PHE^A 49 55.36 32.19 4.61 54.86 33.35 7.08 55.11 32.77 5.84 3 0 1000.00 -999 ? >ARG^A 50 53.08 33.23 -3.37 50.82 34.62 -4.87 51.95 33.92 -4.12 2 0 1000.00 -999 ? >ILE^A 51 59.94 34.89 -2.74 60.42 35.52 -1.59 60.18 35.21 -2.16 3 0 1000.00 -999 ? >LEU^A 52 55.74 38.42 -4.53 53.99 37.36 -3.88 54.86 37.89 -4.20 3 0 1000.00 -999 ? >VAL^A 53 59.15 40.14 -6.90 60.54 39.65 -8.49 59.85 39.89 -7.70 3 0 1000.00 -999 ? >VAL^A 54 57.57 43.36 -8.08 56.35 43.71 -6.34 56.96 43.54 -7.21 3 0 1000.00 -999 ? >SER^A 55 58.77 46.70 -9.43 58.72 46.08 -11.78 58.75 46.39 -10.60 2 0 1000.00 -999 ? >LYS.A 56 59.01 49.91 -7.45 65.09 50.65 -5.80 62.05 50.28 -6.62 2 0 1000.00 -999 ? >ASP.A 57 56.09 51.37 -10.99 56.37 49.53 -12.00 56.23 50.45 -11.49 2 0 1000.00 -999 ? >MET?A 58 53.45 48.62 -8.43 54.55 44.96 -10.43 54.00 46.79 -9.43 2 0 1000.00 -999 ? >ASP.A 59 49.96 49.86 -5.35 49.24 50.35 -3.43 49.60 50.11 -4.39 2 0 1000.00 -999 ? >TYR.A 60 55.38 47.11 -3.05 57.61 48.82 -2.86 56.49 47.96 -2.96 3 0 1000.00 -999 ? >LYS.A 61 53.48 49.61 -0.15 57.65 51.13 1.72 55.57 50.37 0.79 2 0 1000.00 -999 ? >LYS.A 62 50.01 49.99 1.35 44.45 49.58 1.24 47.23 49.79 1.30 2 0 1000.00 -999 ? >ASP.A 63 49.26 45.27 0.85 47.46 45.93 -0.03 48.36 45.60 0.41 2 0 1000.00 -999 ? >TYR.A 64 53.54 43.46 0.50 52.04 41.38 -0.61 52.79 42.42 -0.05 3 0 1000.00 -999 ? >ASN.A 65 52.51 48.17 5.75 51.68 46.69 7.02 52.10 47.43 6.39 2 0 1000.00 -999 ? >GLU^A 66 55.37 46.18 9.32 54.76 45.09 11.03 55.07 45.64 10.18 2 0 1000.00 -999 ? >VAL^A 67 60.16 45.32 6.49 61.36 46.80 5.46 60.76 46.06 5.97 3 0 1000.00 -999 ? >ILE^A 68 62.10 41.05 6.71 61.60 39.75 6.91 61.85 40.40 6.81 3 0 1000.00 -999 ? >ASP^A 69 67.01 43.78 8.42 66.20 45.58 9.14 66.61 44.68 8.78 2 0 1000.00 -999 ? >SER^A 70 68.44 40.73 5.40 67.97 40.24 3.07 68.21 40.49 4.24 2 0 1000.00 -999 ? >ASN.A 71 72.84 39.12 4.37 72.09 37.20 3.84 72.47 38.16 4.11 2 0 1000.00 -999 ? >ILE.A 72 70.21 39.35 -0.39 69.58 38.11 -0.56 69.89 38.73 -0.48 3 0 1000.00 -999 ? >GLY.A 73 68.47 43.62 0.85 68.30 42.99 1.39 68.38 43.30 1.12 1 0 1000.00 -999 ? >LYS.A 74 64.98 44.26 2.17 66.45 48.87 4.34 65.72 46.56 3.25 2 0 1000.00 -999 ? >PHE^A 75 62.84 39.67 2.22 64.28 37.66 0.89 63.56 38.67 1.56 3 0 1000.00 -999 ? >TYR^A 76 58.92 45.88 1.46 60.68 48.03 1.48 59.80 46.96 1.47 3 0 1000.00 -999 ? >TYR^A 77 56.42 41.29 6.39 57.05 42.19 8.95 56.74 41.74 7.67 3 0 1000.00 -999 ? >LYS~A 78 51.98 42.40 5.18 48.76 38.68 1.80 50.37 40.54 3.49 2 0 1000.00 -999 ? >GLY~A 79 52.06 43.50 8.79 51.73 42.88 8.43 51.90 43.19 8.61 1 0 1000.00 -999 ? >TYR~A 80 47.89 40.47 8.19 47.43 39.69 5.54 47.66 40.08 6.86 3 0 1000.00 -999 ? >SER~A 81 51.29 37.93 8.66 52.48 38.75 6.70 51.89 38.34 7.68 2 0 1000.00 -999 ? >LYS~A 82 53.99 38.78 11.19 56.69 43.56 14.45 55.34 41.17 12.82 2 0 1000.00 -999 ? >MET?A 83 52.08 36.44 13.49 47.76 36.21 13.15 49.92 36.32 13.32 2 0 1000.00 -999 ? >TYR~A 84 50.82 33.24 10.06 48.05 33.14 10.40 49.43 33.19 10.23 3 0 1000.00 -999 ? >MET?A 85 56.71 34.34 11.22 56.91 37.60 8.44 56.81 35.97 9.83 2 0 1000.00 -999 ? >ASP~A 86 60.59 32.78 13.20 61.04 31.71 14.91 60.82 32.25 14.06 2 0 1000.00 -999 ? >ASP~A 87 62.35 37.12 16.16 60.64 37.78 17.21 61.50 37.45 16.69 2 0 1000.00 -999 ? >ASN^A 88 66.20 34.82 14.16 68.14 35.06 13.34 67.17 34.94 13.75 2 0 1000.00 -999 ? >MET?A 89 64.43 33.23 10.03 60.49 34.33 9.11 62.46 33.78 9.57 2 0 1000.00 -999 ? >LYS^A 90 66.44 31.62 7.30 71.60 28.01 8.13 69.02 29.81 7.72 2 0 1000.00 -999 ? >ILE^A 91 65.86 32.25 2.67 64.98 33.00 1.82 65.42 32.63 2.24 3 0 1000.00 -999 ? >SER^A 92 68.26 28.22 2.26 67.64 26.21 3.45 67.95 27.21 2.86 2 0 1000.00 -999 ? >LEU^A 93 69.42 26.33 -1.91 69.15 25.82 -3.99 69.29 26.07 -2.95 3 0 1000.00 -999 ? >ASN~A 94 65.50 22.16 -1.36 63.94 23.10 -0.28 64.72 22.63 -0.82 2 0 1000.00 -999 ? >THR~A 95 69.36 19.77 -1.59 70.07 19.09 0.33 69.72 19.43 -0.63 2 0 1000.00 -999 ? >ASN~A 96 65.50 16.98 -2.42 66.11 15.81 -0.78 65.81 16.40 -1.60 2 0 1000.00 -999 ? >ASN~A 97 63.41 20.15 -5.28 62.96 20.95 -3.36 63.19 20.55 -4.32 2 0 1000.00 -999 ? >SER~A 98 65.78 23.51 -6.80 64.57 23.96 -8.85 65.17 23.73 -7.82 2 0 1000.00 -999 ? >LEU~A 99 62.02 24.65 -4.03 60.18 24.84 -5.12 61.10 24.75 -4.58 3 0 1000.00 -999 ? >LEU^A 100 64.03 28.97 -1.49 65.51 30.28 -2.34 64.77 29.63 -1.92 3 0 1000.00 -999 ? >ARG^A 101 64.64 24.20 4.76 64.38 21.61 3.14 64.51 22.91 3.95 2 0 1000.00 -999 ? >LEU^A 102 60.84 29.88 4.56 60.42 31.80 5.49 60.63 30.84 5.02 3 0 1000.00 -999 ? >THR^A 103 62.87 28.11 8.46 64.48 26.70 8.12 63.67 27.41 8.29 2 0 1000.00 -999 ? >GLY^A 104 62.66 29.94 11.78 62.94 29.15 11.85 62.80 29.54 11.82 1 0 1000.00 -999 ? >ASP~A 105 65.53 30.84 15.62 67.22 31.42 14.57 66.37 31.13 15.09 2 0 1000.00 -999 ? >ASN~A 106 61.21 30.09 17.90 62.81 31.37 18.56 62.01 30.73 18.23 2 0 1000.00 -999 ? >SER~A 107 59.27 27.36 14.67 57.91 29.40 14.56 58.59 28.38 14.62 2 0 1000.00 -999 ? >GLY^A 108 61.55 25.19 12.58 61.07 25.87 12.30 61.31 25.53 12.44 1 0 1000.00 -999 ? >GLU^A 109 61.52 22.67 7.98 61.35 21.34 6.36 61.43 22.01 7.17 2 0 1000.00 -999 ? >LEU^A 110 58.21 28.92 8.33 58.26 30.09 10.14 58.24 29.51 9.23 3 0 1000.00 -999 ? >MET?A 111 57.83 26.60 4.52 55.65 26.68 2.08 56.74 26.64 3.30 2 0 1000.00 -999 ? >PRO^A 112 57.79 22.36 3.68 59.28 24.01 3.54 58.53 23.19 3.61 3 0 1000.00 -999 ? >ALA^A 113 59.29 24.53 -0.43 58.52 23.50 -1.24 58.90 24.01 -0.84 2 0 1000.00 -999 ? >LEU^A 114 60.36 29.12 0.00 60.14 31.06 0.87 60.25 30.09 0.43 3 0 1000.00 -999 ? >SER~A 115 58.58 29.32 -4.44 56.26 29.89 -4.84 57.42 29.61 -4.64 2 0 1000.00 -999 ? >ILE^A 116 60.86 32.68 -6.72 62.18 33.03 -6.52 61.52 32.85 -6.62 3 0 1000.00 -999 ? >GLN^A 117 55.15 33.45 -7.04 53.45 32.58 -7.93 54.30 33.01 -7.48 2 0 1000.00 -999 ? >ASP^A 118 59.04 36.96 -11.95 59.93 38.74 -12.72 59.49 37.85 -12.34 2 0 1000.00 -999 ? >PHE~A 119 53.54 38.78 -9.51 52.08 36.52 -8.68 52.81 37.65 -9.09 3 0 1000.00 -999 ? >ARG~A 120 61.25 42.43 -11.60 63.31 40.64 -12.99 62.28 41.53 -12.29 2 0 1000.00 -999 ? >GLU~A 121 54.17 45.71 -14.40 52.97 43.95 -14.65 53.57 44.83 -14.52 2 0 1000.00 -999 ?