REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-NOV-09 3KLU COMPND UNCHARACTERIZED PROTEIN YQBN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YQBN, BSU26040 AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,D.WANG,Y.FANG,K.CUNNINGHAM,L.- AUTHOR 2 C.MA,R.XIAO,M.LIU,M.C.BARAN,T.B.ACTON,B.ROST, AUTHOR 3 G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 16 8 HET MN A 158 1 SITE 1 AC1 4 GLU A 38 ASP A 52 GLU A 111 ARG A 115 >LYS.A 8 40.74 -19.80 30.39 35.99 -20.67 31.13 38.37 -20.24 30.76 2 0 59.90 -999 ? MN MN A 158 >VAL.A 9 42.25 -16.52 31.64 44.28 -16.01 31.00 43.26 -16.27 31.32 3 0 58.07 -999 ? MN MN A 158 >TYR.A 10 37.64 -14.53 31.00 35.70 -16.53 30.81 36.67 -15.53 30.90 3 0 55.60 -999 ? MN MN A 158 >ASP~A 11 41.90 -10.86 27.08 43.04 -9.20 26.46 42.47 -10.03 26.77 2 0 49.90 -999 ? MN MN A 158 >LEU~A 12 40.25 -7.49 31.72 38.91 -8.72 32.90 39.58 -8.10 32.31 3 0 51.23 -999 ? MN MN A 158 >SER~A 13 42.47 -5.06 28.26 43.30 -6.34 26.42 42.89 -5.70 27.34 2 0 47.74 -999 ? MN MN A 158 >PHE~A 14 39.56 -6.44 24.47 41.24 -8.16 23.10 40.40 -7.30 23.78 3 0 46.16 -999 ? MN MN A 158 >PHE~A 15 35.94 -4.96 28.99 34.83 -7.07 27.56 35.38 -6.01 28.28 3 0 46.21 -999 ? MN MN A 158 >MET?A 16 39.98 -0.40 29.71 42.33 -2.69 32.26 41.16 -1.55 30.99 2 0 48.16 -999 ? MN MN A 158 >PRO~A 17 41.66 3.17 30.91 40.49 2.62 29.11 41.07 2.90 30.01 3 0 42.52 -999 ? MN MN A 158 >GLY~A 18 43.68 2.45 26.74 42.89 2.03 26.77 43.29 2.24 26.75 1 0 41.75 -999 ? MN MN A 158 >GLN~A 19 40.30 -1.40 24.12 40.30 -1.32 21.98 40.30 -1.36 23.05 2 0 40.47 -999 ? MN MN A 158 >THR~A 20 37.36 1.11 24.68 36.84 1.35 26.75 37.10 1.23 25.72 2 0 40.08 -999 ? MN MN A 158 >ILE~A 21 35.43 2.82 20.66 35.25 2.52 19.36 35.34 2.67 20.01 3 0 34.68 -999 ? MN MN A 158 >ASP~A 22 35.63 7.59 23.86 34.84 8.20 25.74 35.23 7.90 24.80 2 0 34.15 -999 ? MN MN A 158 >ALA~A 23 31.48 8.20 22.86 30.68 8.72 24.05 31.08 8.46 23.46 2 0 31.70 -999 ? MN MN A 158 >GLU~A 24 28.26 9.69 20.38 28.25 10.84 22.16 28.25 10.27 21.27 2 0 28.59 -999 ? MN MN A 158 >GLU~A 25 31.89 15.17 20.55 32.57 17.18 20.33 32.23 16.18 20.44 2 0 24.08 -999 ? MN MN A 158 >VAL^A 26 27.16 13.58 16.98 25.88 11.83 16.97 26.52 12.71 16.98 3 0 23.52 -999 ? MN MN A 158 >GLU^A 27 27.84 18.14 14.17 28.66 18.98 12.41 28.25 18.56 13.29 2 0 16.08 -999 ? MN MN A 158 >VAL^A 28 22.22 16.91 14.52 21.06 15.46 15.67 21.64 16.18 15.09 3 0 20.08 -999 ? MN MN A 158 >PRO~A 29 19.98 18.30 11.01 20.62 19.10 12.98 20.30 18.70 12.00 3 0 16.61 -999 ? MN MN A 158 >ILE~A 30 17.98 20.44 17.04 17.15 19.49 17.78 17.56 19.97 17.41 3 0 20.74 -999 ? MN MN A 158 >SER~A 31 16.24 23.31 13.89 15.19 25.41 14.42 15.72 24.36 14.15 2 0 17.45 -999 ? MN MN A 158 >LYS~A 32 16.40 25.10 10.56 13.17 21.65 6.30 14.79 23.38 8.43 2 0 15.96 -999 ? MN MN A 158 >ARG~A 33 12.74 28.19 14.41 13.59 28.87 17.27 13.17 28.53 15.84 2 0 20.05 -999 ? MN MN A 158 >PHE~A 34 19.20 27.52 15.70 17.40 27.34 17.84 18.30 27.43 16.77 3 0 17.34 -999 ? MN MN A 158 >VAL~A 35 21.94 29.45 10.54 20.38 29.93 9.09 21.16 29.69 9.81 3 0 9.63 -999 ? MN MN A 158 >ASP~A 36 26.65 30.15 10.04 26.77 29.14 8.20 26.71 29.64 9.12 2 0 7.06 -999 ? MN MN A 158 >LYS~A 37 26.52 33.96 8.08 30.96 31.99 6.83 28.74 32.98 7.46 2 0 7.84 -999 ? MN MN A 158 >GLU~A 38 28.85 31.42 4.83 30.37 30.39 3.76 29.61 30.90 4.30 2 0 -5.30 -999 ? MN MN A 158s >GLY~A 39 22.74 30.70 5.45 23.33 30.26 5.66 23.03 30.48 5.55 1 0 5.07 -999 ? MN MN A 158 >ASN~A 40 24.97 26.53 6.19 25.40 26.55 4.12 25.19 26.54 5.15 2 0 4.65 -999 ? MN MN A 158 >VAL~A 41 21.96 25.34 9.32 20.27 23.99 9.46 21.11 24.66 9.39 3 0 10.81 -999 ? MN MN A 158 >VAL~A 42 23.99 25.21 12.53 24.77 26.92 13.55 24.38 26.06 13.04 3 0 12.50 -999 ? MN MN A 158 >PRO~A 43 25.45 21.02 12.57 23.78 22.23 13.45 24.62 21.63 13.01 3 0 14.56 -999 ? MN MN A 158 >PHE^A 44 21.50 21.50 18.79 19.79 23.55 19.69 20.65 22.53 19.24 3 0 20.14 -999 ? MN MN A 158 >ILE^A 45 27.87 19.32 18.83 29.23 19.40 18.32 28.55 19.36 18.58 3 0 20.60 -999 ? MN MN A 158 >PHE^A 46 23.03 15.94 20.76 20.57 17.23 20.32 21.80 16.59 20.54 3 0 23.89 -999 ? MN MN A 158 >LYS~A 47 27.82 13.72 23.24 32.41 12.19 25.11 30.12 12.95 24.18 2 0 30.62 -999 ? MN MN A 158 >ALA~A 48 26.56 11.20 25.80 26.57 9.68 25.59 26.57 10.44 25.69 2 0 31.82 -999 ? MN MN A 158 >ILE~A 49 26.52 12.81 30.33 25.35 13.49 30.66 25.93 13.15 30.50 3 0 33.81 -999 ? MN MN A 158 >THR~A 50 28.47 9.20 31.85 30.05 10.10 32.96 29.26 9.65 32.40 2 0 37.76 -999 ? MN MN A 158 >THR~A 51 26.41 6.65 33.66 26.16 4.54 33.37 26.28 5.60 33.51 2 0 41.08 -999 ? MN MN A 158 >ASP~A 52 29.28 8.25 37.31 30.38 6.48 37.90 29.83 7.36 37.61 2 0 -43.88 -999 ? MN MN A 158s >ARG~A 53 26.69 14.37 36.20 25.73 16.93 37.67 26.21 15.65 36.94 2 0 38.71 -999 ? MN MN A 158 >ILE~A 54 22.79 9.22 33.93 22.41 8.79 32.69 22.60 9.00 33.31 3 0 38.52 -999 ? MN MN A 158 >ASP~A 55 23.98 7.86 39.09 23.68 5.91 38.35 23.83 6.88 38.72 2 0 44.35 -999 ? MN MN A 158 >GLU~A 56 26.28 12.31 39.92 27.77 13.78 39.81 27.02 13.04 39.87 2 0 41.91 -999 ? MN MN A 158 >LEU~A 57 21.08 13.84 36.63 22.04 15.50 35.62 21.56 14.67 36.12 3 0 38.35 -999 ? MN MN A 158 >GLU~A 58 17.13 9.13 38.97 17.07 7.11 39.50 17.10 8.12 39.23 2 0 45.45 -999 ? MN MN A 158 >LYS~A 59 19.34 11.64 42.80 23.12 14.38 45.56 21.23 13.01 44.18 2 0 47.06 -999 ? MN MN A 158 >GLU~A 60 20.69 17.45 41.42 22.56 17.82 40.47 21.63 17.63 40.95 2 0 41.19 -999 ? MN MN A 158 >ASN~A 61 15.59 15.27 39.38 16.63 16.95 38.59 16.11 16.11 38.99 2 0 40.59 -999 ? MN MN A 158 >THR~A 62 14.20 12.74 43.31 15.13 10.91 42.68 14.67 11.82 43.00 2 0 46.85 -999 ? MN MN A 158 >THR~A 63 12.43 13.30 46.63 12.50 15.44 46.22 12.46 14.37 46.42 2 0 49.08 -999 ? MN MN A 158 >GLU~A 75 8.13 13.10 44.12 7.40 12.47 42.24 7.77 12.78 43.18 2 0 48.21 -999 ? MN MN A 158 >LEU~A 76 12.12 10.81 40.06 13.60 10.83 38.47 12.86 10.82 39.26 3 0 44.51 -999 ? MN MN A 158 >ASP~A 77 11.43 16.37 39.04 10.60 17.92 37.88 11.02 17.14 38.46 2 0 41.41 -999 ? MN MN A 158 >SER~A 78 11.37 13.18 35.35 9.88 11.27 35.67 10.62 12.23 35.51 2 0 42.30 -999 ? MN MN A 158 >GLN~A 79 8.95 17.97 32.37 7.44 16.97 31.23 8.20 17.47 31.80 2 0 37.45 -999 ? MN MN A 158 >ARG~A 80 14.07 20.73 36.35 15.47 23.41 36.07 14.77 22.07 36.21 2 0 36.85 -999 ? MN MN A 158 >PHE~A 81 16.07 12.55 35.45 17.73 10.32 35.14 16.90 11.44 35.30 3 0 39.81 -999 ? MN MN A 158 >TYR~A 82 13.97 12.55 31.10 13.33 9.96 31.97 13.65 11.25 31.53 3 0 37.65 -999 ? MN MN A 158 >ALA~A 83 15.92 18.11 30.58 15.00 19.25 31.09 15.46 18.68 30.84 2 0 33.48 -999 ? MN MN A 158 >ARG~A 84 18.33 19.92 35.68 20.46 19.25 37.81 19.39 19.58 36.74 2 0 38.46 -999 ? MN MN A 158 >ILE~A 85 19.71 13.87 30.69 19.67 12.41 30.86 19.69 13.14 30.78 3 0 34.58 -999 ? MN MN A 158 >ALA~A 86 19.76 16.94 27.53 18.35 17.38 27.02 19.06 17.16 27.28 2 0 29.66 -999 ? MN MN A 158 >VAL~A 87 21.41 20.19 28.61 21.04 21.93 29.95 21.22 21.06 29.28 3 0 29.76 -999 ? MN MN A 158 >GLU~A 88 24.65 18.64 32.08 24.77 17.80 34.05 24.71 18.22 33.07 2 0 35.03 -999 ? MN MN A 158 >THR~A 89 24.49 15.90 26.60 23.37 14.14 26.22 23.93 15.02 26.41 2 0 29.74 -999 ? MN MN A 158 >THR^A 90 24.41 18.99 24.38 22.66 19.91 23.53 23.54 19.45 23.95 2 0 24.67 -999 ? MN MN A 158 >VAL^A 91 27.91 20.25 23.63 29.58 18.97 23.06 28.74 19.61 23.35 3 0 24.65 -999 ? MN MN A 158 >TYR^A 92 27.75 24.42 19.25 27.56 26.74 17.69 27.66 25.58 18.47 3 0 17.88 -999 ? MN MN A 158 >PRO~A 93 22.74 25.30 21.70 24.84 24.49 21.68 23.79 24.89 21.69 3 0 21.14 -999 ? MN MN A 158 >THR~A 94 25.61 24.49 25.88 27.28 24.77 27.21 26.45 24.63 26.54 2 0 26.51 -999 ? MN MN A 158 >PHE~A 95 20.75 25.23 26.36 19.66 24.75 23.80 20.20 24.99 25.08 3 0 24.94 -999 ? MN MN A 158 >LYS~A 96 24.76 26.72 30.74 25.60 21.60 34.12 25.18 24.16 32.43 2 0 33.91 -999 ? MN MN A 158 >ALA~A 97 26.89 29.25 28.87 27.03 29.38 27.36 26.96 29.32 28.12 2 0 26.09 -999 ? MN MN A 158 >LYS~A 98 26.92 32.58 30.63 25.36 35.43 34.67 26.14 34.00 32.65 2 0 33.74 -999 ? MN MN A 158 >GLU~A 99 27.07 35.26 25.10 28.20 34.83 23.35 27.64 35.05 24.22 2 0 22.64 -999 ? MN MN A 158 >LEU~A 100 22.88 30.94 26.48 22.85 30.36 24.38 22.86 30.65 25.43 3 0 24.27 -999 ? MN MN A 158 >ARG~A 101 23.23 30.41 33.30 26.09 31.18 34.03 24.66 30.79 33.67 2 0 32.72 -999 ? MN MN A 158 >GLU~A 102 24.95 37.15 30.75 25.00 38.74 32.13 24.98 37.94 31.44 2 0 31.96 -999 ? MN MN A 158 >ALA~A 103 20.87 37.04 26.73 21.40 36.51 25.41 21.13 36.77 26.07 2 0 25.25 -999 ? MN MN A 158 >TYR~A 104 17.70 33.31 25.68 17.76 32.92 22.93 17.73 33.11 24.31 3 0 24.48 -999 ? MN MN A 158 >LYS~A 105 17.64 36.42 30.99 18.68 40.27 28.02 18.16 38.34 29.51 2 0 29.36 -999 ? MN MN A 158 >THR~A 106 17.47 33.25 33.10 16.35 31.55 32.37 16.91 32.40 32.74 2 0 32.44 -999 ? MN MN A 158 >GLU~A 107 20.95 33.12 36.63 22.73 33.37 35.54 21.84 33.25 36.08 2 0 34.48 -999 ? MN MN A 158 >ASP~A 108 16.62 27.96 34.87 16.03 25.94 35.05 16.32 26.95 34.96 2 0 35.34 -999 ? MN MN A 158 >PRO~A 109 21.49 25.81 33.42 19.64 26.48 32.38 20.56 26.15 32.90 3 0 32.24 -999 ? MN MN A 158 >VAL~A 110 16.64 24.24 31.13 15.66 22.52 32.06 16.15 23.38 31.60 3 0 32.47 -999 ? MN MN A 158 >GLU~A 111 13.47 29.64 31.61 11.62 28.93 30.90 12.55 29.28 31.26 2 0 -32.77 -999 ? MN MN A 158s >VAL~A 112 17.48 28.76 28.43 19.62 29.32 28.59 18.55 29.04 28.51 3 0 28.12 -999 ? MN MN A 158 >ALA~A 113 16.77 25.66 26.34 16.90 24.16 26.79 16.84 24.91 26.57 2 0 27.61 -999 ? MN MN A 158 >LYS~A 114 13.02 26.35 26.26 10.38 22.66 28.92 11.70 24.51 27.59 2 0 32.44 -999 ? MN MN A 158 >ARG~A 115 13.62 32.24 28.27 12.88 33.44 31.03 13.25 32.84 29.65 2 0 -32.49 -999 ? MN MN A 158s >VAL~A 116 16.13 28.91 22.49 18.32 28.59 22.38 17.23 28.75 22.43 3 0 22.78 -999 ? MN MN A 158 >LEU~A 117 14.42 24.47 21.55 16.23 23.31 21.11 15.32 23.89 21.33 3 0 23.40 -999 ? MN MN A 158 >SER~A 118 10.96 28.04 21.17 11.58 29.97 19.87 11.27 29.01 20.52 2 0 23.29 -999 ? MN MN A 158 >VAL~A 119 9.07 25.88 18.68 8.99 26.00 16.56 9.03 25.94 17.62 3 0 23.68 -999 ? MN MN A 158 >GLY~A 120 7.42 23.00 20.53 7.93 23.00 19.93 7.67 23.00 20.23 1 0 27.46 -999 ? MN MN A 158 >GLY~A 121 8.49 20.24 18.19 8.94 20.80 18.56 8.72 20.52 18.38 1 0 26.07 -999 ? MN MN A 158 >GLU~A 122 12.38 23.36 16.68 12.95 25.42 16.57 12.67 24.39 16.63 2 0 20.43 -999 ? MN MN A 158 >TYR~A 123 11.81 21.79 24.39 12.68 21.32 27.03 12.24 21.55 25.71 3 0 29.16 -999 ? MN MN A 158 >ALA~A 124 10.65 17.75 22.14 9.24 17.39 21.67 9.94 17.57 21.90 2 0 29.14 -999 ? MN MN A 158 >ASN~A 125 13.07 17.09 17.98 11.45 16.51 16.71 12.26 16.80 17.34 2 0 25.04 -999 ? MN MN A 158 >TRP~A 126 18.67 19.46 22.31 17.66 20.40 25.99 18.17 19.93 24.15 3 0 26.14 -999 ? MN MN A 158 >LEU~A 127 13.71 16.12 25.10 13.40 17.18 26.96 13.56 16.65 26.03 3 0 30.69 -999 ? MN MN A 158 >ASN~A 128 13.40 12.39 21.67 11.48 12.86 22.44 12.44 12.62 22.05 2 0 30.81 -999 ? MN MN A 158 >LYS~A 129 17.74 12.99 20.60 20.22 11.02 16.28 18.98 12.01 18.44 2 0 24.96 -999 ? MN MN A 158 >ALA~A 130 19.63 13.53 23.87 19.35 14.68 24.84 19.49 14.11 24.35 2 0 28.89 -999 ? MN MN A 158 >ILE~A 131 16.45 10.40 25.72 16.44 10.41 27.09 16.44 10.40 26.41 3 0 33.28 -999 ? MN MN A 158 >GLU~A 132 18.82 8.00 19.93 18.32 8.74 18.01 18.57 8.37 18.97 2 0 28.19 -999 ? MN MN A 158 >ILE~A 133 22.84 11.27 22.29 23.96 11.39 21.28 23.40 11.33 21.79 3 0 27.96 -999 ? MN MN A 158 >ASN~A 134 22.29 9.08 27.09 23.22 10.94 27.42 22.75 10.01 27.26 2 0 32.55 -999 ? MN MN A 158 >GLY~A 135 21.87 4.89 24.62 21.38 5.37 24.96 21.62 5.13 24.79 1 0 34.64 -999 ? MN MN A 158 >PHE~A 136 18.70 6.02 28.38 20.39 6.21 30.61 19.54 6.12 29.49 3 0 37.59 -999 ? MN MN A 158 >ASP~A 137 14.67 3.71 24.26 13.23 3.40 22.76 13.95 3.56 23.51 2 0 36.53 -999 ? MN MN A 158