REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-JAN-10 3L9A COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: X; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 1309; SOURCE 4 STRAIN: OM98X; SOURCE 5 GENE: BAF47173; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIPL; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: P15TV LIC AUTHOR A.U.SINGER,M.E.CUFF,X.XU,H.CUI,A.M.EDWARDS,A.JOACHIMIAK, AUTHOR 2 A.SAVCHENKO,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE X 159 16 HET GOL X 1 18 HET NA X 240 1 SITE 1 AC1 13 HOH X 20 HOH X 40 HOH X 97 HOH X 99 SITE 1 AC2 4 HOH X 113 HOH X 118 GLU X 200 HIS X 239 >MET?X 159 26.46 29.72 12.72 23.48 26.81 13.27 24.97 28.27 12.99 2 0 19.12 -999 ? NA NA X 240 >ARG.X 160 28.17 26.87 18.03 28.68 29.67 19.23 28.42 28.27 18.63 2 0 20.42 -999 ? NA NA X 240 >ASP.X 161 30.77 22.95 12.74 31.85 23.84 11.15 31.31 23.39 11.94 2 0 15.64 -999 ? O3 AGOL X 1 >PHE^X 162 24.99 21.71 14.11 23.05 22.12 12.12 24.02 21.92 13.12 3 0 14.63 -999 ? NA NA X 240 >PHE^X 163 28.83 16.06 15.54 31.59 15.64 15.29 30.21 15.85 15.41 3 0 7.44 -999 ? NA NA X 240 >VAL^X 164 23.40 15.35 14.29 22.25 16.43 12.73 22.83 15.89 13.51 3 0 10.09 -999 ? O2 BGOL X 1 >ILE^X 165 23.11 10.87 15.80 24.03 10.10 16.69 23.57 10.49 16.25 3 0 5.93 -999 ? NA NA X 240 >THR^X 166 20.30 9.89 12.18 21.28 9.11 10.46 20.79 9.50 11.32 2 0 7.36 -999 ? O1 CGOL X 1 >ASN.X 167 15.91 9.06 13.86 14.42 8.11 15.05 15.17 8.58 14.46 2 0 13.89 -999 ? O1 CGOL X 1 >SER.X 168 16.95 5.49 11.35 15.05 6.55 10.27 16.00 6.02 10.81 2 0 12.71 -999 ? O1 CGOL X 1 >GLU.X 169 19.19 2.50 6.38 19.98 0.54 6.24 19.58 1.52 6.31 2 0 10.65 -999 ? O1 CGOL X 1 >TYR^X 170 16.78 8.54 6.60 17.71 10.53 8.34 17.24 9.53 7.47 3 0 11.88 -999 ? O1 CGOL X 1 >THR^X 171 18.20 8.29 1.94 18.57 7.61 -0.07 18.39 7.95 0.94 2 0 14.94 -999 ? O1 AGOL X 1 >PHE^X 172 17.92 14.14 3.69 17.17 16.83 3.60 17.54 15.49 3.64 3 0 15.85 -999 ? O2 AGOL X 1 >ALA.X 173 19.06 14.42 -0.61 19.84 15.59 0.01 19.45 15.00 -0.30 2 0 16.64 -999 ? O2 AGOL X 1 >GLY.X 174 20.18 11.38 -2.61 20.37 11.45 -1.86 20.28 11.42 -2.23 1 0 17.03 -999 ? O1 AGOL X 1 >VAL^X 175 22.58 10.16 0.09 24.22 11.40 0.82 23.40 10.78 0.46 3 0 12.83 -999 ? O2 AGOL X 1 >HIS^X 176 22.50 4.40 2.46 22.27 2.88 3.89 22.38 3.64 3.18 3 0 10.04 -999 ? O1 AGOL X 1 >TYR^X 177 22.72 9.63 5.82 23.64 11.98 4.62 23.18 10.81 5.22 3 0 9.12 -999 ? O2 AGOL X 1 >ALA.X 178 22.71 4.12 8.12 23.93 3.33 8.58 23.32 3.73 8.35 2 0 5.32 -999 ? O1 CGOL X 1 >LYS.X 179 20.83 4.41 11.39 17.14 1.99 15.98 18.98 3.20 13.68 2 0 11.93 -999 ? O1 CGOL X 1 >GLY.X 180 23.12 6.15 13.90 23.15 6.30 13.10 23.14 6.23 13.50 1 0 -5.09 -999 ? O1 CGOL X 1s >ALA.X 181 25.15 7.91 11.21 24.76 8.08 9.76 24.95 8.00 10.48 2 0 -4.25 -999 ? O1 CGOL X 1s >VAL^X 182 26.94 10.92 12.71 28.14 11.11 14.52 27.54 11.02 13.62 3 0 -3.68 -999 ? O2 BGOL X 1s >LEU^X 183 25.32 14.16 9.65 24.24 12.67 8.50 24.78 13.42 9.08 3 0 7.32 -999 ? O2 AGOL X 1 >HIS^X 184 31.20 18.05 10.71 32.17 19.89 11.05 31.68 18.97 10.88 3 0 10.91 -999 ? O3 AGOL X 1 >VAL^X 185 27.06 19.92 9.61 24.85 19.93 9.71 25.96 19.93 9.66 3 0 12.42 -999 ? O2 BGOL X 1 >SER^X 186 28.86 23.10 8.57 30.86 24.25 7.89 29.86 23.67 8.23 2 0 16.72 -999 ? O2 BGOL X 1 >PRO.X 187 25.50 25.58 9.90 26.87 25.46 8.14 26.19 25.52 9.02 3 0 17.87 -999 ? O2 BGOL X 1 >THR.X 188 29.49 28.23 6.91 30.85 29.32 8.17 30.17 28.77 7.54 2 0 21.60 -999 ? O3 AGOL X 1 >GLN.X 189 32.94 25.19 5.22 34.61 23.87 5.11 33.78 24.53 5.16 2 0 17.94 -999 ? O3 AGOL X 1 >LYS.X 190 27.07 24.79 3.28 25.04 30.03 0.32 26.05 27.41 1.80 2 0 25.06 -999 ? O2 CGOL X 1 >ARG^X 191 31.55 19.45 2.67 33.62 17.33 3.58 32.58 18.39 3.13 2 0 13.11 -999 ? O2 CGOL X 1 >ALA^X 192 27.12 18.19 5.80 25.69 18.07 6.31 26.40 18.13 6.06 2 0 11.87 -999 ? O2 CGOL X 1 >PHE^X 193 31.22 14.91 5.51 33.65 15.13 6.89 32.43 15.02 6.20 3 0 9.46 -999 ? O2 CGOL X 1 >TRP^X 194 28.23 8.68 8.65 26.72 5.66 6.63 27.47 7.17 7.64 3 0 -4.06 -999 ? O1 AGOL X 1s >VAL.X 195 31.85 11.08 9.31 31.85 12.77 10.74 31.85 11.93 10.03 3 0 -4.99 -999 ? O3 AGOL X 1s >ILE~X 196 34.69 7.07 9.53 35.68 6.79 8.59 35.18 6.93 9.06 3 0 -6.18 -999 ? O3 AGOL X 1s >ALA~X 197 34.48 7.49 13.99 34.53 6.19 14.80 34.51 6.84 14.39 2 0 -3.61 -999 ? O3 CGOL X 1s >ASP~X 198 39.19 7.99 12.72 39.98 6.21 13.59 39.59 7.10 13.15 2 0 8.98 -999 ? O3 CGOL X 1 >GLN~X 199 37.02 11.46 9.27 35.95 11.49 7.44 36.49 11.48 8.36 2 0 8.33 -999 ? O3 AGOL X 1 >GLU~X 200 32.29 11.82 16.05 30.94 10.30 16.67 31.62 11.06 16.36 2 0 3.00 -999 ? NA NA X 240s >ASN~X 201 37.66 10.91 17.52 36.33 9.51 18.35 36.99 10.21 17.94 2 0 7.24 -999 ? O3 AGOL X 1 >PHE~X 202 40.25 15.38 12.93 41.11 17.69 11.60 40.68 16.54 12.26 3 0 12.63 -999 ? O3 AGOL X 1 >ILE~X 203 35.22 16.91 14.32 34.21 17.08 13.43 34.71 16.99 13.88 3 0 9.34 -999 ? O3 AGOL X 1 >LYS~X 204 36.31 17.02 18.70 32.71 12.62 20.61 34.51 14.82 19.66 2 0 5.49 -999 ? NA NA X 240 >GLN~X 205 42.58 17.32 19.01 44.23 16.19 18.29 43.41 16.75 18.65 2 0 16.02 -999 ? O3 AGOL X 1 >VAL~X 206 39.94 20.70 16.73 40.12 20.87 14.56 40.03 20.79 15.65 3 0 15.43 -999 ? O3 AGOL X 1 >ASN~X 207 35.59 21.85 16.62 33.86 23.08 16.75 34.73 22.47 16.69 2 0 14.81 -999 ? NA NA X 240 >LYS.X 208 36.18 20.75 21.38 39.76 24.36 25.08 37.97 22.55 23.23 2 0 19.72 -999 ? NA NA X 240 >ASN.X 209 32.89 24.05 22.45 34.31 24.53 23.97 33.60 24.29 23.21 2 0 17.08 -999 ? NA NA X 240 >ILE.X 210 31.53 20.37 17.89 31.53 19.37 16.88 31.53 19.87 17.39 3 0 11.01 -999 ? NA NA X 240 >GLU.X 211 26.90 22.03 21.58 25.33 23.31 22.15 26.11 22.67 21.86 2 0 14.92 -999 ? NA NA X 240 >TYR^X 212 26.81 14.93 19.49 29.27 13.70 19.02 28.04 14.31 19.26 3 0 5.17 -999 ? NA NA X 240 >VAL^X 213 22.23 19.09 18.79 22.68 20.66 17.33 22.45 19.87 18.06 3 0 12.42 -999 ? NA NA X 240 >GLU^X 214 17.90 15.75 16.22 16.66 15.47 17.89 17.28 15.61 17.05 2 0 13.72 -999 ? NA NA X 240 >LYS^X 215 20.83 12.61 18.44 24.31 12.59 23.61 22.57 12.60 21.03 2 0 7.56 -999 ? NA NA X 240 >ASN^X 216 16.48 10.98 17.65 17.13 10.18 19.49 16.81 10.58 18.57 2 0 11.82 -999 ? NA NA X 240 >ALA^X 217 17.46 13.31 13.45 18.70 13.98 12.86 18.08 13.65 13.15 2 0 11.95 -999 ? O2 AGOL X 1 >SER~X 218 14.69 12.35 11.02 12.93 13.92 11.30 13.81 13.13 11.16 2 0 16.91 -999 ? O1 CGOL X 1 >PRO~X 219 13.97 11.05 6.88 14.53 12.95 7.96 14.25 12.00 7.42 3 0 15.44 -999 ? O1 CGOL X 1 >ALA~X 220 12.29 16.23 8.36 10.96 16.13 9.11 11.63 16.18 8.74 2 0 19.89 -999 ? O1 CGOL X 1 >PHE~X 221 16.31 17.60 12.87 17.58 19.26 14.74 16.95 18.43 13.81 3 0 15.80 -999 ? NA NA X 240 >LEU~X 222 18.15 16.15 7.17 19.58 14.81 8.17 18.86 15.48 7.67 3 0 13.20 -999 ? O2 AGOL X 1 >GLN~X 223 13.04 19.72 4.21 14.08 19.93 2.35 13.56 19.82 3.28 2 0 21.24 -999 ? O2 AGOL X 1 >ARG~X 224 12.43 23.11 9.73 9.42 23.33 9.05 10.93 23.22 9.39 2 0 24.98 -999 ? O2 AGOL X 1 >ILE~X 225 19.88 21.10 8.21 20.95 20.52 8.95 20.41 20.81 8.58 3 0 15.71 -999 ? O2 AGOL X 1 >VAL~X 226 18.47 22.57 4.11 18.16 21.20 2.43 18.32 21.89 3.27 3 0 19.42 -999 ? O2 AGOL X 1 >GLU~X 227 13.52 24.28 4.59 11.96 23.67 5.89 12.74 23.98 5.24 2 0 23.84 -999 ? O2 AGOL X 1 >ILE~X 228 17.55 27.16 8.63 16.74 27.36 8.94 17.15 27.26 8.78 3 0 22.77 -999 ? O2 BGOL X 1 >TYR~X 229 21.79 26.45 8.71 21.16 27.29 11.31 21.47 26.87 10.01 3 0 20.32 -999 ? O2 BGOL X 1 >GLN.X 230 19.98 27.81 1.54 20.07 29.49 0.21 20.03 28.65 0.88 2 0 25.93 -999 ? O2 AGOL X 1 >VAL.X 231 23.46 22.85 3.31 24.19 22.09 5.23 23.83 22.47 4.27 3 0 17.04 -999 ? O2 CGOL X 1 >LYS^X 232 24.43 20.29 0.67 28.61 17.93 -3.02 26.52 19.11 -1.18 2 0 17.70 -999 ? O2 CGOL X 1 >PHE^X 233 22.54 16.77 3.99 21.65 17.92 6.38 22.09 17.35 5.18 3 0 13.30 -999 ? O2 AGOL X 1 >GLU^X 234 28.44 16.11 0.36 30.36 16.97 0.29 29.40 16.54 0.32 2 0 14.51 -999 ? O2 CGOL X 1 >GLY.X 235 27.98 10.68 2.27 28.52 11.32 2.18 28.25 11.00 2.22 1 0 9.82 -999 ? O2 CGOL X 1 >LYS.X 236 31.35 9.50 3.55 30.60 4.25 7.06 30.98 6.87 5.30 2 0 5.06 -999 ? O1 AGOL X 1 >ASN.X 237 34.78 12.32 1.97 35.63 13.15 3.73 35.20 12.74 2.85 2 0 11.47 -999 ? O2 CGOL X 1 >VAL.X 238 36.82 8.02 3.25 37.66 9.05 5.01 37.24 8.53 4.13 3 0 11.10 -999 ? O2 CGOL X 1 >HIS.X 239 37.71 3.07 1.92 38.06 2.87 -0.13 37.89 2.97 0.89 3 0 -14.50 -999 ? O1 AGOL X 1s