REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-AUG-06 2I5U COMPND DNAD DOMAIN PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 158-237; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; SOURCE 3 ORGANISM_TAXID: 226185; SOURCE 4 STRAIN: V583; SOURCE 5 GENE: DNAD; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.WU,R.ZHANG,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 14 11 HET MSE A 19 8 HET MG A 100 1 SITE 1 AC1 4 HOH A 113 HOH A 124 HOH A 127 HOH A 142 >SER~A -1 6.21 13.89 29.87 6.66 15.12 31.95 6.43 14.51 30.91 2 0 9.23 -999 ? MG MG A 100 >ASN~A 0 8.69 10.42 32.18 10.02 10.39 33.81 9.36 10.40 33.00 2 0 15.00 -999 ? MG MG A 100 >ALA~A 1 9.95 9.98 27.96 9.01 9.14 27.13 9.48 9.56 27.54 2 0 16.61 -999 ? MG MG A 100 >ILE~A 2 8.92 14.28 25.86 8.00 14.92 25.09 8.46 14.60 25.48 3 0 12.94 -999 ? MG MG A 100 >ARG~A 3 12.52 16.21 32.68 9.76 16.92 33.88 11.14 16.56 33.28 2 0 9.84 -999 ? MG MG A 100 >SER~A 4 14.56 11.89 29.00 13.50 10.31 30.52 14.03 11.10 29.76 2 0 17.26 -999 ? MG MG A 100 >ILE~A 5 14.51 11.41 24.07 14.08 11.45 22.74 14.29 11.43 23.41 3 0 19.33 -999 ? MG MG A 100 >TRP~A 6 15.80 18.81 26.86 14.39 20.87 23.83 15.09 19.84 25.35 3 0 15.30 -999 ? MG MG A 100 >GLU~A 7 16.52 16.86 30.18 15.89 17.10 32.17 16.20 16.98 31.18 2 0 14.98 -999 ? MG MG A 100 >ASN~A 8 19.79 11.36 27.82 19.40 11.04 29.87 19.60 11.20 28.85 2 0 21.25 -999 ? MG MG A 100 >ASN.A 9 19.93 13.55 23.05 19.78 11.44 23.10 19.86 12.50 23.07 2 0 23.28 -999 ? MG MG A 100 >GLY.A 10 22.71 17.36 24.56 21.92 17.35 24.53 22.31 17.36 24.55 1 0 22.88 -999 ? MG MG A 100 >PHE.A 11 17.86 18.71 23.09 17.03 17.67 20.66 17.45 18.19 21.88 3 0 19.45 -999 ? MG MG A 100 >GLY.A 12 20.45 20.65 28.17 19.83 20.17 27.89 20.14 20.41 28.03 1 0 19.01 -999 ? MG MG A 100 >LEU.A 13 17.80 21.86 32.00 18.87 21.61 33.84 18.33 21.74 32.92 3 0 16.18 -999 ? MG MG A 100 >MET?A 14 14.16 20.82 29.68 10.66 18.79 28.16 12.41 19.81 28.92 2 0 10.63 -999 ? MG MG A 100 >SER~A 15 12.91 24.34 30.36 12.20 25.60 28.41 12.56 24.97 29.39 2 0 11.22 -999 ? MG MG A 100 >SER~A 16 9.52 25.02 31.91 7.83 26.13 33.21 8.68 25.58 32.56 2 0 6.37 -999 ? MG MG A 100 >LYS~A 17 8.54 26.80 28.68 8.26 29.10 23.81 8.40 27.95 26.25 2 0 12.43 -999 ? MG MG A 100 >THR~A 18 9.51 23.90 26.46 11.34 23.43 25.41 10.42 23.67 25.94 2 0 11.81 -999 ? MG MG A 100 >MET?A 19 7.64 21.40 28.70 8.17 18.10 29.64 7.91 19.75 29.17 2 0 8.47 -999 ? MG MG A 100 >THR~A 20 4.59 23.66 28.46 4.01 25.53 29.35 4.30 24.60 28.90 2 0 4.64 -999 ? MG MG A 100 >ASP~A 21 6.28 24.26 23.95 6.50 26.37 24.10 6.39 25.32 24.02 2 0 10.31 -999 ? MG MG A 100 >PHE~A 22 7.63 19.22 23.90 9.90 19.44 22.26 8.76 19.33 23.08 3 0 12.41 -999 ? MG MG A 100 >ASP~A 23 1.95 20.12 28.10 2.91 19.13 29.69 2.43 19.63 28.90 2 0 5.19 -999 ? MG MG A 100 >TYR~A 24 -0.69 24.03 23.96 -3.07 25.33 23.49 -1.88 24.68 23.73 3 0 10.16 -999 ? MG MG A 100 >TRP~A 25 4.55 21.44 20.20 2.71 21.45 16.73 3.63 21.44 18.46 3 0 14.61 -999 ? MG MG A 100 >ILE~A 26 0.61 15.94 24.24 1.12 14.92 25.07 0.86 15.43 24.66 3 0 11.38 -999 ? MG MG A 100 >SER~A 27 -3.16 18.31 23.38 -3.32 19.19 25.63 -3.24 18.75 24.51 2 0 9.96 -999 ? MG MG A 100 >ASP~A 28 -2.19 20.66 19.23 -2.66 22.63 19.89 -2.42 21.64 19.56 2 0 13.91 -999 ? MG MG A 100 >PHE~A 29 -0.15 15.76 17.44 1.79 16.68 15.66 0.82 16.22 16.55 3 0 17.82 -999 ? MG MG A 100 >GLU~A 30 -4.46 13.87 22.75 -4.23 14.23 24.83 -4.35 14.05 23.79 2 0 13.65 -999 ? MG MG A 100 >LYS~A 31 -7.64 17.44 19.04 -7.45 23.22 21.69 -7.55 20.33 20.36 2 0 14.80 -999 ? MG MG A 100 >ILE.A 32 -6.38 16.37 14.51 -5.48 16.38 14.43 -5.93 16.38 14.47 3 0 21.26 -999 ? MG MG A 100 >GLY.A 33 -7.62 12.21 16.91 -6.89 12.47 17.03 -7.26 12.34 16.97 1 0 21.73 -999 ? MG MG A 100 >ALA.A 34 -4.22 11.05 18.14 -2.89 11.85 18.04 -3.55 11.45 18.09 2 0 19.36 -999 ? MG MG A 100 >SER~A 35 -4.02 9.16 21.42 -2.56 7.20 21.22 -3.29 8.18 21.32 2 0 20.34 -999 ? MG MG A 100 >GLN~A 36 -1.12 11.28 26.57 -1.53 11.14 28.66 -1.33 11.21 27.61 2 0 13.28 -999 ? MG MG A 100 >LYS~A 37 0.60 7.81 23.55 4.10 4.33 24.57 2.35 6.07 24.06 2 0 20.68 -999 ? MG MG A 100 >GLU~A 38 -0.89 6.85 18.51 -2.80 6.73 17.58 -1.85 6.79 18.04 2 0 23.02 -999 ? MG MG A 100 >ALA~A 39 1.21 12.12 20.30 0.22 13.06 21.02 0.71 12.59 20.66 2 0 15.72 -999 ? MG MG A 100 >GLU~A 40 5.21 10.70 24.92 4.97 9.48 26.65 5.09 10.09 25.78 2 0 15.29 -999 ? MG MG A 100 >GLN~A 41 5.64 6.57 20.51 5.70 6.99 22.60 5.67 6.78 21.56 2 0 19.49 -999 ? MG MG A 100 >LEU~A 42 4.22 12.60 17.03 2.86 12.04 15.42 3.54 12.32 16.22 3 0 19.93 -999 ? MG MG A 100 >ILE~A 43 6.87 14.90 21.02 6.43 15.93 21.80 6.65 15.41 21.41 3 0 14.55 -999 ? MG MG A 100 >VAL~A 44 10.01 11.64 20.50 10.24 9.90 21.79 10.13 10.77 21.14 3 0 18.82 -999 ? MG MG A 100 >LYS~A 45 10.45 11.00 16.76 13.12 9.85 13.88 11.78 10.43 15.32 2 0 25.65 -999 ? MG MG A 100 >ALA~A 46 10.77 14.74 15.98 9.73 15.85 16.24 10.25 15.29 16.11 2 0 19.69 -999 ? MG MG A 100 >ILE~A 47 13.30 14.71 20.21 13.28 15.10 21.60 13.29 14.91 20.90 3 0 18.30 -999 ? MG MG A 100 >GLU~A 48 14.62 9.86 18.13 13.90 7.91 17.83 14.26 8.88 17.98 2 0 24.42 -999 ? MG MG A 100 >ILE~A 49 13.87 14.23 12.99 12.94 14.19 11.93 13.41 14.21 12.46 3 0 24.97 -999 ? MG MG A 100 >ALA~A 50 16.57 16.99 15.33 15.86 17.80 16.45 16.22 17.40 15.89 2 0 22.04 -999 ? MG MG A 100 >ILE~A 51 19.32 13.78 17.85 19.47 13.08 19.05 19.40 13.43 18.45 3 0 24.47 -999 ? MG MG A 100 >ASP~A 52 19.52 12.42 12.81 19.40 10.52 13.71 19.46 11.47 13.26 2 0 28.70 -999 ? MG MG A 100 >ALA~A 53 20.25 16.82 11.79 18.93 17.52 11.42 19.59 17.17 11.60 2 0 27.80 -999 ? MG MG A 100 >ASN~A 54 23.66 18.49 14.25 24.94 18.70 15.90 24.30 18.59 15.07 2 0 28.74 -999 ? MG MG A 100 >ALA.A 55 19.50 21.04 15.16 18.59 21.32 13.93 19.05 21.18 14.54 2 0 25.14 -999 ? MG MG A 100 >ARG.A 56 21.36 17.68 19.85 24.40 17.58 20.18 22.88 17.63 20.02 2 0 26.18 -999 ? MG MG A 100 >ASN~A 57 16.94 24.48 19.07 16.85 24.66 16.96 16.89 24.57 18.01 2 0 21.70 -999 ? MG MG A 100 >TYR~A 58 10.49 24.38 20.97 7.71 24.35 20.64 9.10 24.36 20.81 3 0 13.97 -999 ? MG MG A 100 >ASN~A 59 13.24 27.01 16.44 12.96 28.77 17.62 13.10 27.89 17.03 2 0 19.52 -999 ? MG MG A 100 >TYR~A 60 15.17 21.48 13.42 15.81 19.85 11.29 15.49 20.67 12.36 3 0 24.59 -999 ? MG MG A 100 >ILE~A 61 11.41 19.98 17.82 11.74 19.15 18.80 11.57 19.56 18.31 3 0 17.71 -999 ? MG MG A 100 >ASN~A 62 8.28 24.24 16.86 6.45 25.27 16.81 7.36 24.75 16.83 2 0 16.78 -999 ? MG MG A 100 >ALA~A 63 8.56 23.21 12.48 9.77 23.69 11.74 9.17 23.45 12.11 2 0 22.48 -999 ? MG MG A 100 >ILE~A 64 9.43 18.41 12.72 10.44 17.41 12.69 9.94 17.91 12.71 3 0 22.25 -999 ? MG MG A 100 >LEU~A 65 5.43 19.29 15.85 6.19 17.94 17.35 5.81 18.61 16.60 3 0 17.30 -999 ? MG MG A 100 >LYS~A 66 3.48 21.83 12.58 5.06 27.83 13.99 4.27 24.83 13.29 2 0 19.69 -999 ? MG MG A 100 >ASP~A 67 5.17 19.69 8.63 4.90 18.86 6.73 5.03 19.28 7.68 2 0 26.66 -999 ? MG MG A 100 >TRP~A 68 5.28 15.43 10.14 7.54 13.74 12.88 6.41 14.59 11.51 3 0 23.42 -999 ? MG MG A 100 >GLU~A 69 -1.50 19.96 14.13 -1.39 21.80 15.17 -1.44 20.88 14.65 2 0 18.15 -999 ? MG MG A 100 >GLN~A 70 0.36 20.99 8.04 0.25 20.26 6.04 0.31 20.62 7.04 2 0 27.09 -999 ? MG MG A 100 >ARG~A 71 1.88 16.13 5.29 4.70 15.59 4.16 3.29 15.86 4.73 2 0 29.82 -999 ? MG MG A 100 >GLY~A 72 -3.22 15.13 10.21 -2.46 14.88 10.02 -2.84 15.00 10.12 1 0 24.67 -999 ? MG MG A 100 >PHE.A 73 1.33 12.81 9.40 2.08 12.90 6.71 1.71 12.86 8.06 3 0 26.90 -999 ? MG MG A 100 >LYS.A 74 -1.83 10.78 14.23 -6.34 8.87 13.01 -4.09 9.83 13.62 2 0 25.94 -999 ? MG MG A 100 >SER.A 75 1.30 8.61 14.40 0.08 6.69 13.57 0.69 7.65 13.99 2 0 25.48 -999 ? MG MG A 100