4UMC
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0009423 | biological_process | chorismate biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0009423 | biological_process | chorismate biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0009423 | biological_process | chorismate biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0003849 | molecular_function | 3-deoxy-7-phosphoheptulonate synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0009423 | biological_process | chorismate biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN A 1350 |
| Chain | Residue |
| A | CYS63 |
| A | HIS270 |
| A | GLU304 |
| A | ASP324 |
| A | PEQ1352 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN D 1350 |
| Chain | Residue |
| D | PEQ1352 |
| D | CYS63 |
| D | HIS270 |
| D | GLU304 |
| D | ASP324 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN C 1350 |
| Chain | Residue |
| C | CYS63 |
| C | HIS270 |
| C | GLU304 |
| C | ASP324 |
| C | PEQ1351 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN B 1351 |
| Chain | Residue |
| B | CYS63 |
| B | HIS270 |
| B | GLU304 |
| B | ASP324 |
| B | PEQ1352 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PO4 D 1351 |
| Chain | Residue |
| D | ARG101 |
| D | THR102 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PO4 A 1351 |
| Chain | Residue |
| A | ARG101 |
| A | THR102 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEQ D 1352 |
| Chain | Residue |
| D | CYS63 |
| D | ARG94 |
| D | TYR96 |
| D | LYS99 |
| D | GLY165 |
| D | ALA166 |
| D | ARG167 |
| D | LYS188 |
| D | ARG236 |
| D | HIS270 |
| D | GLU304 |
| D | MN1350 |
| D | HOH2011 |
| D | HOH2023 |
| D | HOH2028 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PEQ C 1351 |
| Chain | Residue |
| C | CYS63 |
| C | ARG94 |
| C | TYR96 |
| C | LYS99 |
| C | GLY165 |
| C | ALA166 |
| C | ARG167 |
| C | LYS188 |
| C | ARG236 |
| C | HIS270 |
| C | GLU304 |
| C | MN1350 |
| C | HOH2010 |
| C | HOH2026 |
| site_id | AC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PEQ B 1352 |
| Chain | Residue |
| B | CYS63 |
| B | ARG94 |
| B | TYR96 |
| B | LYS99 |
| B | GLY165 |
| B | ALA166 |
| B | ARG167 |
| B | LYS188 |
| B | ARG236 |
| B | HIS270 |
| B | GLU304 |
| B | MN1351 |
| B | HOH2016 |
| B | HOH2033 |
| B | HOH2038 |
| site_id | BC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE PEQ A 1352 |
| Chain | Residue |
| A | CYS63 |
| A | ARG94 |
| A | TYR96 |
| A | LYS99 |
| A | GLY165 |
| A | ALA166 |
| A | ARG167 |
| A | LYS188 |
| A | ARG236 |
| A | HIS270 |
| A | GLU304 |
| A | MN1350 |
| A | HOH2021 |
| A | HOH2027 |
| A | HOH2046 |
| A | HOH2052 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PO4 C 1352 |
| Chain | Residue |
| C | ARG101 |
| C | THR102 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 B 1353 |
| Chain | Residue |
| B | ARG101 |
| B | THR102 |
| B | HOH2023 |
