2NX3
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 | 16 |
| Details | BINDING SITE FOR RESIDUE PEP A 268 |
| Chain | Residue |
| A | LYS41 |
| A | HIS185 |
| A | PHE220 |
| A | GLU222 |
| A | A5P269 |
| A | HOH277 |
| A | HOH283 |
| A | HOH293 |
| A | SER43 |
| A | LYS46 |
| A | ASP81 |
| A | GLN99 |
| A | PRO101 |
| A | ALA102 |
| A | LYS124 |
| A | ARG154 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP B 268 |
| Chain | Residue |
| B | LYS41 |
| B | SER43 |
| B | LYS46 |
| B | GLN99 |
| B | PRO101 |
| B | ALA102 |
| B | LYS124 |
| B | ARG154 |
| B | HIS185 |
| B | PHE220 |
| B | A5P269 |
| B | HOH270 |
| B | HOH275 |
| B | HOH281 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEP C 268 |
| Chain | Residue |
| C | ASN11 |
| C | LYS41 |
| C | SER43 |
| C | LYS46 |
| C | GLN99 |
| C | PRO101 |
| C | ALA102 |
| C | LYS124 |
| C | ARG154 |
| C | HIS185 |
| C | GLU222 |
| C | A5P269 |
| C | HOH289 |
| C | HOH293 |
| C | HOH295 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PEP E 268 |
| Chain | Residue |
| E | ASN11 |
| E | LYS41 |
| E | SER43 |
| E | LYS46 |
| E | GLN99 |
| E | PRO101 |
| E | ALA102 |
| E | LYS124 |
| E | ARG154 |
| E | HIS185 |
| E | PHE220 |
| E | A5P269 |
| E | HOH281 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP F 268 |
| Chain | Residue |
| F | ASN11 |
| F | LYS41 |
| F | SER43 |
| F | LYS46 |
| F | PRO101 |
| F | ALA102 |
| F | LYS124 |
| F | ARG154 |
| F | HIS185 |
| F | GLU222 |
| F | A5P269 |
| F | HOH286 |
| F | HOH289 |
| F | HOH321 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEP G 268 |
| Chain | Residue |
| G | LYS41 |
| G | SER43 |
| G | LYS46 |
| G | GLN99 |
| G | PRO101 |
| G | ALA102 |
| G | LYS124 |
| G | ARG154 |
| G | HIS185 |
| G | PHE220 |
| G | GLU222 |
| G | A5P269 |
| G | HOH275 |
| G | HOH284 |
| G | HOH289 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEP H 268 |
| Chain | Residue |
| H | HOH272 |
| H | HOH282 |
| H | HOH303 |
| H | LYS41 |
| H | SER43 |
| H | LYS46 |
| H | ASP81 |
| H | GLN99 |
| H | PRO101 |
| H | ALA102 |
| H | LYS124 |
| H | ARG154 |
| H | HIS185 |
| H | PHE220 |
| H | A5P269 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP I 268 |
| Chain | Residue |
| I | LYS41 |
| I | SER43 |
| I | LYS46 |
| I | GLN99 |
| I | PRO101 |
| I | ALA102 |
| I | LYS124 |
| I | ARG154 |
| I | HIS185 |
| I | PHE220 |
| I | A5P269 |
| I | HOH272 |
| I | HOH284 |
| I | HOH288 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP J 268 |
| Chain | Residue |
| J | SER43 |
| J | LYS46 |
| J | GLN99 |
| J | PRO101 |
| J | ALA102 |
| J | LYS124 |
| J | ARG154 |
| J | HIS185 |
| J | PHE220 |
| J | A5P269 |
| J | HOH272 |
| J | HOH286 |
| J | HOH303 |
| J | HOH447 |
| site_id | BC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP K 268 |
| Chain | Residue |
| K | ASN11 |
| K | LYS41 |
| K | SER43 |
| K | LYS46 |
| K | GLN99 |
| K | PRO101 |
| K | ALA102 |
| K | LYS124 |
| K | ARG154 |
| K | HIS185 |
| K | A5P269 |
| K | HOH274 |
| K | HOH283 |
| K | HOH284 |
| site_id | BC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEP L 268 |
| Chain | Residue |
| L | LYS41 |
| L | SER43 |
| L | LYS46 |
| L | GLN99 |
| L | PRO101 |
| L | ALA102 |
| L | LYS124 |
| L | ARG154 |
| L | HIS185 |
| L | PHE220 |
| L | GLU222 |
| L | A5P269 |
| L | HOH288 |
| L | HOH318 |
| site_id | BC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE A5P A 269 |
| Chain | Residue |
| A | ASN11 |
| A | LYS46 |
| A | ASN48 |
| A | ARG49 |
| A | SER50 |
| A | HIS185 |
| A | GLN188 |
| A | LYS196 |
| A | SER197 |
| A | ASP233 |
| A | PEP268 |
| A | HOH278 |
| A | HOH362 |
| A | HOH393 |
| B | ARG106 |
| site_id | BC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE A5P B 269 |
| Chain | Residue |
| A | ARG106 |
| B | ASN11 |
| B | LYS46 |
| B | ASN48 |
| B | ARG49 |
| B | SER50 |
| B | HIS185 |
| B | GLN188 |
| B | LYS196 |
| B | SER197 |
| B | ASP233 |
| B | PEP268 |
| B | HOH286 |
| B | HOH435 |
| site_id | BC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE A5P C 269 |
| Chain | Residue |
| C | ASN11 |
| C | LYS46 |
| C | ASN48 |
| C | ARG49 |
| C | SER50 |
| C | HIS185 |
| C | GLN188 |
| C | LYS196 |
| C | SER197 |
| C | ASP233 |
| C | PEP268 |
| C | HOH308 |
| D | ARG106 |
| site_id | BC6 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE 1NT D 268 |
| Chain | Residue |
| C | ARG106 |
| D | ASN11 |
| D | LYS41 |
| D | SER43 |
| D | LYS46 |
| D | ASN48 |
| D | ARG49 |
| D | SER50 |
| D | GLN99 |
| D | PRO101 |
| D | ALA102 |
| D | LYS124 |
| D | ARG154 |
| D | HIS185 |
| D | LYS196 |
| D | SER197 |
| D | GLU222 |
| D | ASP233 |
| D | HOH277 |
| D | HOH289 |
| D | HOH344 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE A5P E 269 |
| Chain | Residue |
| E | ASN11 |
| E | LYS46 |
| E | ASN48 |
| E | ARG49 |
| E | SER50 |
| E | HIS185 |
| E | GLN188 |
| E | LYS196 |
| E | SER197 |
| E | ASP233 |
| E | PEP268 |
| E | HOH327 |
| F | ARG106 |
| site_id | BC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE A5P F 269 |
| Chain | Residue |
| F | ASN48 |
| F | ARG49 |
| F | SER50 |
| F | HIS185 |
| F | GLN188 |
| F | LYS196 |
| F | SER197 |
| F | ASP233 |
| F | PEP268 |
| F | HOH291 |
| site_id | BC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE A5P G 269 |
| Chain | Residue |
| G | ASN11 |
| G | LYS46 |
| G | ASN48 |
| G | ARG49 |
| G | SER50 |
| G | HIS185 |
| G | GLN188 |
| G | LYS196 |
| G | SER197 |
| G | ASP233 |
| G | PEP268 |
| G | HOH354 |
| G | HOH396 |
| H | ARG106 |
| site_id | CC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE A5P H 269 |
| Chain | Residue |
| G | ARG106 |
| H | ASN11 |
| H | LYS46 |
| H | ASN48 |
| H | ARG49 |
| H | SER50 |
| H | HIS185 |
| H | GLN188 |
| H | LYS196 |
| H | SER197 |
| H | ASP233 |
| H | PEP268 |
| H | HOH311 |
| H | HOH388 |
| site_id | CC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE A5P I 269 |
| Chain | Residue |
| I | ASN11 |
| I | LYS46 |
| I | ASN48 |
| I | ARG49 |
| I | SER50 |
| I | HIS185 |
| I | GLN188 |
| I | LYS196 |
| I | SER197 |
| I | ASP233 |
| I | PEP268 |
| I | HOH279 |
| I | HOH419 |
| J | ARG106 |
| site_id | CC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE A5P J 269 |
| Chain | Residue |
| I | ARG106 |
| J | ASN11 |
| J | LYS46 |
| J | ASN48 |
| J | ARG49 |
| J | SER50 |
| J | HIS185 |
| J | GLN188 |
| J | LYS196 |
| J | SER197 |
| J | ASP233 |
| J | PEP268 |
| J | HOH322 |
| J | HOH405 |
| site_id | CC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE A5P K 269 |
| Chain | Residue |
| K | ASN11 |
| K | LYS46 |
| K | ASN48 |
| K | ARG49 |
| K | SER50 |
| K | HIS185 |
| K | GLN188 |
| K | LYS196 |
| K | SER197 |
| K | ASP233 |
| K | PEP268 |
| K | HOH292 |
| L | ARG106 |
| site_id | CC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE A5P L 269 |
| Chain | Residue |
| K | ARG106 |
| L | ASN11 |
| L | LYS46 |
| L | ASN48 |
| L | ARG49 |
| L | SER50 |
| L | HIS185 |
| L | GLN188 |
| L | LYS196 |
| L | SER197 |
| L | ASP233 |
| L | PEP268 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| A | HIS185 |
| site_id | CSA10 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| J | HIS185 |
| site_id | CSA11 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| K | HIS185 |
| site_id | CSA12 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| L | HIS185 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| B | HIS185 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| C | HIS185 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| D | HIS185 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| E | HIS185 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| F | HIS185 |
| site_id | CSA7 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| G | HIS185 |
| site_id | CSA8 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| H | HIS185 |
| site_id | CSA9 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1q3n |
| Chain | Residue | Details |
| I | HIS185 |
