2NXH
Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| A | 0046364 | biological_process | monosaccharide biosynthetic process |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| B | 0046364 | biological_process | monosaccharide biosynthetic process |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| C | 0046364 | biological_process | monosaccharide biosynthetic process |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| D | 0046364 | biological_process | monosaccharide biosynthetic process |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| E | 0009058 | biological_process | biosynthetic process |
| E | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| E | 0016740 | molecular_function | transferase activity |
| E | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| E | 0046364 | biological_process | monosaccharide biosynthetic process |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| F | 0009058 | biological_process | biosynthetic process |
| F | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| F | 0016740 | molecular_function | transferase activity |
| F | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| F | 0046364 | biological_process | monosaccharide biosynthetic process |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0005829 | cellular_component | cytosol |
| G | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| G | 0009058 | biological_process | biosynthetic process |
| G | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| G | 0016740 | molecular_function | transferase activity |
| G | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| G | 0046364 | biological_process | monosaccharide biosynthetic process |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0005829 | cellular_component | cytosol |
| H | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| H | 0009058 | biological_process | biosynthetic process |
| H | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| H | 0016740 | molecular_function | transferase activity |
| H | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| H | 0046364 | biological_process | monosaccharide biosynthetic process |
| I | 0005737 | cellular_component | cytoplasm |
| I | 0005829 | cellular_component | cytosol |
| I | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| I | 0009058 | biological_process | biosynthetic process |
| I | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| I | 0016740 | molecular_function | transferase activity |
| I | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| I | 0046364 | biological_process | monosaccharide biosynthetic process |
| J | 0005737 | cellular_component | cytoplasm |
| J | 0005829 | cellular_component | cytosol |
| J | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| J | 0009058 | biological_process | biosynthetic process |
| J | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| J | 0016740 | molecular_function | transferase activity |
| J | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| J | 0046364 | biological_process | monosaccharide biosynthetic process |
| K | 0005737 | cellular_component | cytoplasm |
| K | 0005829 | cellular_component | cytosol |
| K | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| K | 0009058 | biological_process | biosynthetic process |
| K | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| K | 0016740 | molecular_function | transferase activity |
| K | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| K | 0046364 | biological_process | monosaccharide biosynthetic process |
| L | 0005737 | cellular_component | cytoplasm |
| L | 0005829 | cellular_component | cytosol |
| L | 0008676 | molecular_function | 3-deoxy-8-phosphooctulonate synthase activity |
| L | 0009058 | biological_process | biosynthetic process |
| L | 0009103 | biological_process | lipopolysaccharide biosynthetic process |
| L | 0016740 | molecular_function | transferase activity |
| L | 0019294 | biological_process | keto-3-deoxy-D-manno-octulosonic acid biosynthetic process |
| L | 0046364 | biological_process | monosaccharide biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 1280 |
| Chain | Residue |
| A | ARG1049 |
| A | SER1050 |
| A | LYS1196 |
| A | SER1197 |
| A | HOH5079 |
| A | HOH6212 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1281 |
| Chain | Residue |
| B | SER2197 |
| B | HOH5152 |
| B | HOH5484 |
| B | HOH6483 |
| B | ARG2049 |
| B | SER2050 |
| B | LYS2196 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 C 1282 |
| Chain | Residue |
| C | ARG3049 |
| C | SER3050 |
| C | SER3197 |
| C | HOH5889 |
| C | HOH6214 |
| D | ARG4106 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 D 1283 |
| Chain | Residue |
| D | ARG4049 |
| D | SER4050 |
| D | LYS4196 |
| D | SER4197 |
| D | HOH5701 |
| D | HOH6095 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 E 1284 |
| Chain | Residue |
| E | ARG1049 |
| E | SER1050 |
| E | SER1197 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 F 1285 |
| Chain | Residue |
| F | ARG2049 |
| F | SER2050 |
| F | LYS2196 |
| F | SER2197 |
| F | HOH6145 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 G 1286 |
| Chain | Residue |
| G | ARG3049 |
| G | SER3050 |
| G | LYS3196 |
| G | SER3197 |
| G | HOH5692 |
| G | HOH5916 |
| G | HOH6516 |
| G | HOH6529 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 H 1287 |
| Chain | Residue |
| H | ARG4049 |
| H | SER4050 |
| H | HOH5429 |
| H | HOH5879 |
| H | HOH6044 |
| H | HOH6463 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 I 1288 |
| Chain | Residue |
| I | ARG1049 |
| I | SER1050 |
| I | LYS1196 |
| I | SER1197 |
| I | HOH5098 |
| I | HOH5612 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 J 1289 |
| Chain | Residue |
| J | ARG2049 |
| J | SER2050 |
| J | HOH5475 |
| J | HOH5988 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 K 1290 |
| Chain | Residue |
| K | ARG3049 |
| K | SER3050 |
| K | LYS3196 |
| K | SER3197 |
| K | HOH6104 |
| K | HOH6207 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 L 1291 |
| Chain | Residue |
| K | ARG3106 |
| L | ARG4049 |
| L | SER4050 |
| L | SER4197 |
| L | HOH6025 |
| L | HOH6249 |
| site_id | BC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP A 1268 |
| Chain | Residue |
| A | LYS1041 |
| A | SER1043 |
| A | LYS1046 |
| A | GLN1099 |
| A | PRO1101 |
| A | ALA1102 |
| A | LYS1124 |
| A | ARG1154 |
| A | HIS1185 |
| A | PHE1220 |
| A | HOH5071 |
| A | HOH5095 |
| A | HOH5140 |
| A | HOH5357 |
| site_id | BC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP B 1269 |
| Chain | Residue |
| B | LYS2041 |
| B | SER2043 |
| B | LYS2046 |
| B | GLN2099 |
| B | PRO2101 |
| B | ALA2102 |
| B | LYS2124 |
| B | ARG2154 |
| B | HIS2185 |
| B | PHE2220 |
| B | HOH5030 |
| B | HOH5060 |
| B | HOH5108 |
| B | HOH5155 |
| site_id | BC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PEP C 1270 |
| Chain | Residue |
| C | LYS3046 |
| C | GLN3099 |
| C | PRO3101 |
| C | ALA3102 |
| C | LYS3124 |
| C | ARG3154 |
| C | HIS3185 |
| C | PHE3220 |
| C | HOH5543 |
| C | HOH5587 |
| C | HOH5607 |
| C | LYS3041 |
| C | SER3043 |
| site_id | BC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEP D 1271 |
| Chain | Residue |
| D | ASN4011 |
| D | LYS4041 |
| D | SER4043 |
| D | LYS4046 |
| D | GLN4099 |
| D | PRO4101 |
| D | ALA4102 |
| D | LYS4124 |
| D | ARG4154 |
| D | HIS4185 |
| D | PHE4220 |
| D | GLU4222 |
| D | HOH5345 |
| D | HOH5768 |
| D | HOH5977 |
| site_id | BC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PEP E 1272 |
| Chain | Residue |
| E | ASN1011 |
| E | LYS1041 |
| E | SER1043 |
| E | LYS1046 |
| E | GLN1099 |
| E | PRO1101 |
| E | ALA1102 |
| E | LYS1124 |
| E | ARG1154 |
| E | HIS1185 |
| E | PHE1220 |
| E | GLU1222 |
| E | HOH5830 |
| site_id | BC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP F 1273 |
| Chain | Residue |
| F | LYS2041 |
| F | SER2043 |
| F | LYS2046 |
| F | GLN2099 |
| F | PRO2101 |
| F | ALA2102 |
| F | LYS2124 |
| F | ARG2154 |
| F | HIS2185 |
| F | PHE2220 |
| F | GLU2222 |
| F | HOH5595 |
| F | HOH5903 |
| F | HOH6076 |
| site_id | CC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP G 1274 |
| Chain | Residue |
| G | LYS3041 |
| G | SER3043 |
| G | LYS3046 |
| G | GLN3099 |
| G | PRO3101 |
| G | ALA3102 |
| G | LYS3124 |
| G | ARG3154 |
| G | HIS3185 |
| G | PHE3220 |
| G | HOH5092 |
| G | HOH5162 |
| G | HOH5221 |
| G | HOH5386 |
| site_id | CC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP H 1275 |
| Chain | Residue |
| H | LYS4041 |
| H | SER4043 |
| H | LYS4046 |
| H | GLN4099 |
| H | PRO4101 |
| H | ALA4102 |
| H | LYS4124 |
| H | ARG4154 |
| H | HIS4185 |
| H | PHE4220 |
| H | HOH5085 |
| H | HOH5169 |
| H | HOH5299 |
| H | HOH5403 |
| site_id | CC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP I 1276 |
| Chain | Residue |
| I | LYS1041 |
| I | SER1043 |
| I | LYS1046 |
| I | GLN1099 |
| I | PRO1101 |
| I | ALA1102 |
| I | LYS1124 |
| I | ARG1154 |
| I | HIS1185 |
| I | PHE1220 |
| I | HOH5049 |
| I | HOH5135 |
| I | HOH5151 |
| I | HOH5170 |
| site_id | CC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP J 1277 |
| Chain | Residue |
| J | LYS2041 |
| J | SER2043 |
| J | LYS2046 |
| J | GLN2099 |
| J | PRO2101 |
| J | ALA2102 |
| J | LYS2124 |
| J | ARG2154 |
| J | HIS2185 |
| J | PHE2220 |
| J | HOH5041 |
| J | HOH5156 |
| J | HOH5306 |
| J | HOH5650 |
| site_id | CC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PEP K 1278 |
| Chain | Residue |
| K | ASN3011 |
| K | LYS3041 |
| K | SER3043 |
| K | LYS3046 |
| K | GLN3099 |
| K | PRO3101 |
| K | ALA3102 |
| K | LYS3124 |
| K | ARG3154 |
| K | HIS3185 |
| K | GLU3222 |
| K | HOH5313 |
| K | HOH5921 |
| site_id | CC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PEP L 1279 |
| Chain | Residue |
| L | LYS4041 |
| L | SER4043 |
| L | LYS4046 |
| L | GLN4099 |
| L | PRO4101 |
| L | ALA4102 |
| L | LYS4124 |
| L | ARG4154 |
| L | PHE4220 |
| L | HOH5550 |
| L | HOH5951 |
| L | HOH6343 |
| L | HOH6632 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| A | HIS1185 |
| site_id | CSA10 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| J | HIS2185 |
| site_id | CSA11 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| K | HIS3185 |
| site_id | CSA12 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| L | HIS4185 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| B | HIS2185 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| C | HIS3185 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| D | HIS4185 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| E | HIS1185 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| F | HIS2185 |
| site_id | CSA7 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| G | HIS3185 |
| site_id | CSA8 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| H | HIS4185 |
| site_id | CSA9 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| I | HIS1185 |
