REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-MAY-03 1PF5 COMPND HYPOTHETICAL PROTEIN YJGH; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YJGH; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) STAR; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,L.XU,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET HG A 132 1 SITE 1 AC1 3 CYS A 69 ASP A 73 ARG A 127 >VAL.A 2 -8.47 -29.07 100.57 -9.41 -31.02 100.88 -8.94 -30.04 100.73 3 0 20.88 -999 ? HG HG A 132 >GLU.A 3 -12.18 -24.38 101.78 -13.32 -24.34 99.98 -12.75 -24.36 100.88 2 0 13.96 -999 ? HG HG A 132 >THR^A 5 -6.79 -21.10 99.30 -8.65 -21.41 98.19 -7.72 -21.25 98.74 2 0 13.42 -999 ? HG HG A 132 >ALA^A 6 -4.66 -17.97 99.73 -3.14 -18.01 99.89 -3.90 -17.99 99.81 2 0 15.92 -999 ? HG HG A 132 >VAL^A 7 -5.58 -14.62 98.22 -7.69 -14.10 97.99 -6.64 -14.36 98.11 3 0 11.17 -999 ? HG HG A 132 >PHE.A 8 -1.08 -13.20 98.00 0.13 -14.87 99.88 -0.48 -14.03 98.94 3 0 17.15 -999 ? HG HG A 132 >PRO.A 9 -3.00 -7.63 98.50 -3.34 -8.80 96.65 -3.17 -8.22 97.57 3 0 14.47 -999 ? HG HG A 132 >ALA.A 10 -2.60 -7.79 92.59 -3.51 -7.26 91.49 -3.05 -7.52 92.04 2 0 15.60 -999 ? HG HG A 132 >GLY.A 11 0.91 -6.56 91.91 0.79 -7.23 92.39 0.85 -6.90 92.15 1 0 19.65 -999 ? HG HG A 132 >HIS.A 13 1.38 -5.32 97.55 0.34 -4.14 96.17 0.86 -4.73 96.86 3 0 19.32 -999 ? HG HG A 132 >SER.A 14 6.33 -8.15 99.94 7.57 -9.03 98.05 6.95 -8.59 98.99 2 0 25.01 -999 ? HG HG A 132 >LEU.A 15 4.52 -7.29 104.08 4.97 -5.79 105.59 4.74 -6.54 104.84 3 0 23.70 -999 ? HG HG A 132 >TYR.A 16 1.20 -10.57 102.17 -0.93 -8.82 102.69 0.14 -9.70 102.43 3 0 18.19 -999 ? HG HG A 132 >ALA.A 17 6.53 -13.02 101.40 7.16 -12.57 100.10 6.85 -12.80 100.75 2 0 24.67 -999 ? HG HG A 132 >GLU.A 18 10.11 -9.69 105.24 10.48 -7.59 105.28 10.30 -8.64 105.26 2 0 29.09 -999 ? HG HG A 132 >HIS.A 19 6.50 -10.35 108.07 7.49 -8.62 108.75 6.99 -9.49 108.41 3 0 26.69 -999 ? HG HG A 132 >ARG.A 20 8.59 -17.50 105.21 9.66 -20.24 106.02 9.13 -18.87 105.62 2 0 29.70 -999 ? HG HG A 132 >TYR.A 21 1.15 -12.95 106.76 1.10 -10.15 106.58 1.12 -11.55 106.67 3 0 20.58 -999 ? HG HG A 132 >SER.A 22 -1.41 -14.85 103.23 -1.67 -17.14 102.47 -1.54 -16.00 102.85 2 0 17.46 -999 ? HG HG A 132 >ALA.A 23 -3.25 -11.56 102.68 -3.25 -10.77 101.36 -3.25 -11.17 102.02 2 0 14.59 -999 ? HG HG A 132 >ALA^A 24 -6.59 -13.39 102.95 -7.60 -12.62 102.11 -7.10 -13.01 102.53 2 0 10.84 -999 ? HG HG A 132 >ILE^A 25 -7.74 -17.75 104.33 -6.82 -18.76 103.83 -7.28 -18.26 104.08 3 0 13.91 -999 ? HG HG A 132 >ARG^A 26 -12.62 -17.70 97.52 -15.48 -18.82 97.14 -14.05 -18.26 97.33 2 0 7.87 -999 ? HG HG A 132 >SER^A 27 -12.91 -20.77 102.77 -12.88 -22.25 104.67 -12.90 -21.51 103.72 2 0 13.89 -999 ? HG HG A 132 >GLY.A 28 -16.28 -21.80 101.47 -15.86 -21.05 101.36 -16.07 -21.42 101.41 1 0 11.36 -999 ? HG HG A 132 >ASP.A 29 -20.02 -18.91 101.80 -20.47 -19.46 103.80 -20.24 -19.18 102.80 2 0 10.82 -999 ? HG HG A 132 >LEU^A 30 -16.25 -17.06 105.24 -17.74 -16.74 106.76 -17.00 -16.90 106.00 3 0 10.19 -999 ? HG HG A 132 >LEU^A 31 -13.12 -13.52 102.13 -11.44 -13.01 100.89 -12.28 -13.27 101.51 3 0 6.74 -999 ? HG HG A 132 >PHE^A 32 -11.69 -15.89 107.76 -13.93 -17.26 108.73 -12.81 -16.58 108.24 3 0 12.79 -999 ? HG HG A 132 >VAL^A 33 -8.56 -11.09 105.60 -9.10 -9.49 104.23 -8.83 -10.29 104.92 3 0 11.28 -999 ? HG HG A 132 >SER^A 34 -5.32 -10.50 107.49 -3.66 -12.05 106.58 -4.49 -11.27 107.04 2 0 16.40 -999 ? HG HG A 132 >GLY^A 35 -5.24 -7.18 109.28 -4.80 -7.49 108.59 -5.02 -7.34 108.94 1 0 17.31 -999 ? HG HG A 132 >GLN^A 36 -6.04 -5.36 104.85 -4.51 -6.44 103.82 -5.28 -5.90 104.33 2 0 15.03 -999 ? HG HG A 132 >VAL.A 37 -2.15 -1.57 107.37 -0.59 -2.71 108.38 -1.37 -2.14 107.88 3 0 21.05 -999 ? HG HG A 132 >GLY.A 38 -1.11 1.53 105.46 -0.57 1.00 105.84 -0.84 1.26 105.65 1 0 22.07 -999 ? HG HG A 132 >SER.A 39 2.13 0.07 104.16 1.69 -2.27 103.79 1.91 -1.10 103.97 2 0 21.91 -999 ? HG HG A 132 >ARG.A 40 4.53 3.74 102.50 6.95 5.37 103.39 5.74 4.55 102.95 2 0 29.97 -999 ? HG HG A 132 >GLU.A 41 5.24 -2.32 96.14 5.52 -1.68 94.14 5.38 -2.00 95.14 2 0 24.99 -999 ? HG HG A 132 >ASP.A 42 9.66 -1.08 100.85 8.98 0.74 101.66 9.32 -0.17 101.26 2 0 29.18 -999 ? HG HG A 132 >GLY.A 43 6.55 -2.80 103.95 6.79 -2.05 103.83 6.67 -2.43 103.89 1 0 26.11 -999 ? HG HG A 132 >THR.A 44 7.14 0.54 105.65 8.89 1.41 104.71 8.02 0.97 105.18 2 0 29.96 -999 ? HG HG A 132 >PRO.A 45 5.51 2.76 109.01 4.95 2.35 106.91 5.23 2.56 107.96 3 0 28.39 -999 ? HG HG A 132 >GLU.A 46 1.59 6.82 103.48 2.39 8.75 103.59 1.99 7.78 103.54 2 0 28.68 -999 ? HG HG A 132 >PRO.A 47 6.22 8.69 106.34 4.26 8.20 107.24 5.24 8.44 106.79 3 0 31.30 -999 ? HG HG A 132 >ASP~A 48 0.78 11.76 106.74 -0.90 12.91 107.31 -0.06 12.34 107.02 2 0 30.75 -999 ? HG HG A 132 >PHE~A 49 -2.89 8.70 111.94 -4.63 6.76 112.96 -3.76 7.73 112.45 3 0 27.63 -999 ? HG HG A 132 >GLN~A 50 -6.51 11.27 106.86 -7.54 13.08 106.45 -7.03 12.18 106.65 2 0 27.63 -999 ? HG HG A 132 >GLN~A 51 -1.47 11.03 103.75 -2.80 11.00 102.08 -2.13 11.02 102.91 2 0 26.90 -999 ? HG HG A 132 >GLN~A 52 -0.51 4.13 108.10 0.35 3.78 110.02 -0.08 3.95 109.06 2 0 26.30 -999 ? HG HG A 132 >VAL~A 53 -5.31 5.08 107.27 -6.70 5.73 108.85 -6.01 5.40 108.06 3 0 22.66 -999 ? HG HG A 132 >ARG~A 54 -6.69 9.65 102.95 -9.49 10.93 103.12 -8.09 10.29 103.03 2 0 24.12 -999 ? HG HG A 132 >LEU~A 55 -2.00 3.81 102.54 -0.53 2.93 101.23 -1.27 3.37 101.88 3 0 22.11 -999 ? HG HG A 132 >ALA~A 56 -4.62 0.83 104.74 -4.86 1.02 106.24 -4.74 0.93 105.49 2 0 19.49 -999 ? HG HG A 132 >PHE~A 57 -9.82 2.22 104.60 -11.27 2.19 106.99 -10.55 2.20 105.79 3 0 17.12 -999 ? HG HG A 132 >ASP~A 58 -5.55 2.00 99.15 -6.43 3.85 98.63 -5.99 2.92 98.89 2 0 18.60 -999 ? HG HG A 132 >ASN~A 59 -3.45 -2.22 101.64 -1.70 -1.10 101.21 -2.58 -1.66 101.43 2 0 18.96 -999 ? HG HG A 132 >LEU~A 60 -8.62 -3.03 103.11 -10.17 -4.15 104.15 -9.40 -3.59 103.63 3 0 12.55 -999 ? HG HG A 132 >HIS~A 61 -11.13 -1.53 97.32 -12.61 -1.63 95.84 -11.87 -1.58 96.58 3 0 11.09 -999 ? HG HG A 132 >ALA~A 62 -6.94 -4.40 96.74 -5.51 -3.90 96.69 -6.23 -4.15 96.71 2 0 13.91 -999 ? HG HG A 132 >THR~A 63 -6.91 -7.60 98.80 -5.88 -8.15 100.61 -6.39 -7.88 99.71 2 0 12.24 -999 ? HG HG A 132 >LEU~A 64 -11.70 -6.77 99.11 -12.69 -6.66 101.03 -12.19 -6.72 100.07 3 0 7.26 -999 ? HG HG A 132 >ALA~A 65 -10.60 -7.28 94.84 -9.88 -6.13 94.16 -10.24 -6.70 94.50 2 0 9.63 -999 ? HG HG A 132 >ALA~A 66 -8.25 -10.27 94.49 -6.97 -10.45 95.26 -7.61 -10.36 94.88 2 0 10.64 -999 ? HG HG A 132 >ALA.A 67 -11.12 -12.47 95.72 -11.33 -12.69 97.22 -11.23 -12.58 96.47 2 0 6.19 -999 ? HG HG A 132 >GLY.A 68 -13.76 -10.62 93.71 -13.61 -10.45 94.52 -13.68 -10.54 94.12 1 0 5.29 -999 ? HG HG A 132 >CYH.A 69 -14.95 -8.77 96.81 -14.79 -11.06 98.57 -14.87 -9.91 97.69 2 0 -2.73 -999 ? HG HG A 132s >THR~A 70 -15.56 -5.11 97.62 -17.19 -4.79 96.22 -16.38 -4.95 96.92 2 0 6.54 -999 ? HG HG A 132 >PHE~A 71 -14.70 -1.15 100.94 -12.09 -0.16 100.86 -13.39 -0.66 100.90 3 0 11.73 -999 ? HG HG A 132 >ASP~A 72 -20.78 -3.84 99.14 -20.84 -1.83 98.50 -20.81 -2.84 98.82 2 0 10.04 -999 ? HG HG A 132 >ASP.A 73 -18.43 -8.52 100.16 -19.20 -8.32 98.21 -18.81 -8.42 99.18 2 0 -3.48 -999 ? HG HG A 132s >ILE^A 74 -16.84 -5.63 104.92 -15.65 -4.93 105.35 -16.25 -5.28 105.13 3 0 9.66 -999 ? HG HG A 132 >ILE^A 75 -20.17 -10.01 107.06 -20.21 -11.25 106.29 -20.19 -10.63 106.67 3 0 9.56 -999 ? HG HG A 132 >ASP^A 76 -17.09 -9.32 110.98 -16.50 -9.03 113.00 -16.79 -9.17 111.99 2 0 15.60 -999 ? HG HG A 132 >VAL^A 77 -14.87 -5.27 111.16 -14.93 -3.43 110.00 -14.90 -4.35 110.58 3 0 14.91 -999 ? HG HG A 132 >THR^A 78 -12.29 -5.00 113.94 -11.99 -6.67 115.30 -12.14 -5.83 114.62 2 0 19.06 -999 ? HG HG A 132 >SER^A 79 -9.81 -2.13 114.14 -11.31 -0.24 114.46 -10.56 -1.18 114.30 2 0 21.01 -999 ? HG HG A 132 >PHE^A 80 -6.33 -4.15 116.19 -7.61 -6.63 115.99 -6.97 -5.39 116.09 3 0 22.01 -999 ? HG HG A 132 >HIS^A 81 -7.57 2.36 116.79 -9.11 1.86 115.45 -8.34 2.11 116.12 3 0 24.53 -999 ? HG HG A 132 >THR.A 82 -1.91 2.59 118.93 -0.54 2.71 117.29 -1.22 2.65 118.11 2 0 29.40 -999 ? HG HG A 132 >ASP~A 83 -2.20 6.92 120.11 -2.63 8.73 121.13 -2.41 7.82 120.62 2 0 34.18 -999 ? HG HG A 132 >PRO~A 84 -7.06 4.43 121.40 -6.39 5.75 119.77 -6.72 5.09 120.59 3 0 30.12 -999 ? HG HG A 132 >GLU~A 85 -7.55 8.70 124.11 -9.49 9.42 124.55 -8.52 9.06 124.33 2 0 34.85 -999 ? HG HG A 132 >ASN~A 86 -4.19 11.72 119.49 -3.87 12.29 121.51 -4.03 12.00 120.50 2 0 36.13 -999 ? HG HG A 132 >GLN~A 87 -4.38 8.02 116.52 -3.40 6.13 116.54 -3.89 7.07 116.53 2 0 29.23 -999 ? HG HG A 132 >PHE~A 88 -11.77 9.87 118.00 -12.74 12.09 119.45 -12.25 10.98 118.73 3 0 31.06 -999 ? HG HG A 132 >GLU~A 89 -11.18 13.96 116.19 -9.59 13.66 117.60 -10.38 13.81 116.90 2 0 32.85 -999 ? HG HG A 132 >ASP~A 90 -7.27 11.10 111.62 -6.19 12.91 111.45 -6.73 12.00 111.54 2 0 29.95 -999 ? HG HG A 132 >ILE~A 91 -10.06 6.72 112.47 -9.52 5.45 112.98 -9.79 6.09 112.73 3 0 24.19 -999 ? HG HG A 132 >MET~A 92 -13.76 8.85 111.18 -15.99 9.60 114.53 -14.87 9.23 112.85 2 0 26.86 -999 ? HG HG A 132 >THR~A 93 -13.00 11.34 108.41 -11.80 13.11 108.11 -12.40 12.22 108.26 2 0 27.06 -999 ? HG HG A 132 >VAL~A 94 -11.73 8.42 106.33 -9.64 7.82 106.06 -10.69 8.12 106.19 3 0 22.16 -999 ? HG HG A 132 >LYS~A 95 -14.39 5.93 107.47 -18.55 4.88 110.73 -16.47 5.40 109.10 2 0 20.81 -999 ? HG HG A 132 >ASN~A 96 -17.59 9.59 107.41 -17.93 9.27 109.47 -17.76 9.43 108.44 2 0 23.68 -999 ? HG HG A 132 >GLU~A 97 -14.08 10.20 101.86 -12.19 11.11 102.01 -13.14 10.66 101.93 2 0 23.31 -999 ? HG HG A 132 >ILE~A 98 -14.53 4.16 103.06 -13.39 3.32 102.86 -13.96 3.74 102.96 3 0 16.23 -999 ? HG HG A 132 >PHE~A 99 -17.75 2.05 105.61 -16.01 -0.12 105.37 -16.88 0.97 105.49 3 0 14.52 -999 ? HG HG A 132 >SER.A 100 -20.95 6.86 103.26 -20.68 6.40 100.90 -20.81 6.63 102.08 2 0 18.21 -999 ? HG HG A 132 >ALA.A 101 -24.41 5.30 103.51 -25.21 5.53 102.24 -24.81 5.42 102.87 2 0 19.06 -999 ? HG HG A 132 >PRO.A 102 -27.88 4.21 105.77 -26.00 3.20 105.18 -26.94 3.71 105.48 3 0 19.41 -999 ? HG HG A 132 >PRO.A 103 -26.54 -2.05 104.48 -26.55 -0.01 105.41 -26.55 -1.03 104.95 3 0 15.58 -999 ? HG HG A 132 >TYR.A 104 -23.41 2.96 108.50 -24.24 5.54 107.81 -23.82 4.25 108.16 3 0 19.81 -999 ? HG HG A 132 >PRO.A 105 -18.92 -0.85 108.23 -21.00 -1.64 108.51 -19.96 -1.25 108.37 3 0 14.92 -999 ? HG HG A 132 >ASN.A 106 -20.83 -4.87 112.93 -19.27 -6.26 112.46 -20.05 -5.56 112.70 2 0 15.81 -999 ? HG HG A 132 >TRP.A 107 -14.91 -0.38 114.29 -14.54 0.75 110.53 -14.73 0.19 112.41 3 0 18.88 -999 ? HG HG A 132 >THR^A 108 -15.17 -3.19 117.13 -15.37 -5.09 118.14 -15.27 -4.14 117.64 2 0 21.55 -999 ? HG HG A 132 >ALA^A 109 -12.40 -0.65 117.79 -12.69 0.82 117.52 -12.54 0.09 117.65 2 0 23.75 -999 ? HG HG A 132 >VAL^A 110 -9.74 -1.44 120.36 -9.80 -3.41 121.26 -9.77 -2.43 120.81 3 0 25.97 -999 ? HG HG A 132 >GLY^A 111 -6.64 0.26 121.73 -6.76 -0.57 121.81 -6.70 -0.15 121.77 1 0 28.80 -999 ? HG HG A 132 >VAL.A 112 -3.48 -1.81 121.40 -3.77 -2.69 119.46 -3.63 -2.25 120.43 3 0 28.12 -999 ? HG HG A 132 >THR.A 113 0.16 -1.33 122.37 0.51 -2.79 123.92 0.33 -2.06 123.15 2 0 32.92 -999 ? HG HG A 132 >TRP.A 114 5.17 -3.31 118.46 4.21 -6.55 116.44 4.69 -4.93 117.45 3 0 30.32 -999 ? HG HG A 132 >LEU.A 115 -0.02 -2.06 114.95 -2.14 -2.24 115.43 -1.08 -2.15 115.19 3 0 25.62 -999 ? HG HG A 132 >ALA.A 116 4.58 -3.71 114.03 4.34 -4.79 113.00 4.46 -4.25 113.52 2 0 27.37 -999 ? HG HG A 132 >GLY.A 117 5.37 -0.06 113.45 4.59 -0.25 113.47 4.98 -0.16 113.46 1 0 29.86 -999 ? HG HG A 132 >PHE.A 118 1.87 -0.49 110.12 3.47 -1.38 107.99 2.67 -0.93 109.06 3 0 25.25 -999 ? HG HG A 132 >ASP.A 119 -0.46 4.53 114.04 1.51 5.03 114.54 0.53 4.78 114.29 2 0 30.11 -999 ? HG HG A 132 >PHE^A 120 -5.79 2.32 111.06 -8.22 1.62 109.88 -7.01 1.97 110.47 3 0 21.12 -999 ? HG HG A 132 >GLU^A 121 -4.20 -4.32 111.57 -2.49 -5.50 111.99 -3.35 -4.91 111.78 2 0 21.46 -999 ? HG HG A 132 >ILE^A 122 -8.98 -2.29 109.24 -9.84 -1.94 108.22 -9.41 -2.12 108.73 3 0 16.42 -999 ? HG HG A 132 >LYS^A 123 -9.14 -6.95 110.39 -10.33 -11.82 112.15 -9.73 -9.39 111.27 2 0 16.20 -999 ? HG HG A 132 >VAL^A 124 -12.09 -7.88 108.20 -12.84 -6.50 106.67 -12.46 -7.19 107.44 3 0 11.71 -999 ? HG HG A 132 >ILE^A 125 -14.99 -11.68 108.36 -15.03 -12.94 109.15 -15.01 -12.31 108.76 3 0 11.49 -999 ? HG HG A 132 >ALA^A 126 -16.25 -10.83 103.99 -15.54 -10.14 102.83 -15.90 -10.48 103.41 2 0 5.66 -999 ? HG HG A 132 >ARG^A 127 -21.78 -11.51 101.16 -23.66 -9.65 99.56 -22.72 -10.58 100.36 2 0 -6.81 -999 ? HG HG A 132s >ILE.A 128 -16.62 -15.46 99.12 -15.26 -15.26 98.52 -15.94 -15.36 98.82 3 0 4.57 -999 ? HG HG A 132 >PRO.A 129 -22.16 -14.54 97.93 -20.63 -16.16 98.11 -21.40 -15.35 98.02 3 0 5.84 -999 ? HG HG A 132 >GLU.A 130 -19.99 -21.08 98.92 -22.01 -21.37 99.51 -21.00 -21.22 99.22 2 0 11.37 -999 ? HG HG A 132 >GLN.A 131 -23.13 -18.13 93.90 -22.88 -16.02 93.68 -23.01 -17.07 93.79 2 0 8.32 -999 ? HG HG A 132