3LM8
Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004788 | molecular_function | thiamine diphosphokinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006772 | biological_process | thiamine metabolic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016310 | biological_process | phosphorylation |
| A | 0030975 | molecular_function | thiamine binding |
| A | 0042723 | biological_process | thiamine-containing compound metabolic process |
| B | 0004788 | molecular_function | thiamine diphosphokinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006772 | biological_process | thiamine metabolic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016310 | biological_process | phosphorylation |
| B | 0030975 | molecular_function | thiamine binding |
| B | 0042723 | biological_process | thiamine-containing compound metabolic process |
| C | 0004788 | molecular_function | thiamine diphosphokinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006772 | biological_process | thiamine metabolic process |
| C | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0016310 | biological_process | phosphorylation |
| C | 0030975 | molecular_function | thiamine binding |
| C | 0042723 | biological_process | thiamine-containing compound metabolic process |
| D | 0004788 | molecular_function | thiamine diphosphokinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006772 | biological_process | thiamine metabolic process |
| D | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| D | 0016301 | molecular_function | kinase activity |
| D | 0016310 | biological_process | phosphorylation |
| D | 0030975 | molecular_function | thiamine binding |
| D | 0042723 | biological_process | thiamine-containing compound metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE VIB A 223 |
| Chain | Residue |
| A | TYR174 |
| A | LEU176 |
| A | LEU187 |
| A | ILE189 |
| A | SER190 |
| A | ASN191 |
| A | HOH231 |
| C | ASP78 |
| C | THR80 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 A 224 |
| Chain | Residue |
| A | GLY104 |
| A | GLY105 |
| A | ARG106 |
| C | GLN133 |
| C | ASP214 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG A 225 |
| Chain | Residue |
| A | ASP51 |
| B | GLU24 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE VIB B 223 |
| Chain | Residue |
| B | TYR174 |
| B | LEU176 |
| B | LEU187 |
| B | CYS188 |
| B | ILE189 |
| D | ASP78 |
| D | THR80 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 B 224 |
| Chain | Residue |
| B | ARG128 |
| B | HIS135 |
| B | GLN137 |
| B | ARG211 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 B 225 |
| Chain | Residue |
| B | ASP51 |
| B | PHE52 |
| B | ASP53 |
| B | ARG60 |
| B | GLN74 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG B 226 |
| Chain | Residue |
| A | GLU24 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE VIB C 223 |
| Chain | Residue |
| A | LYS77 |
| A | ASP78 |
| B | GLU24 |
| C | TYR174 |
| C | LEU176 |
| C | LEU187 |
| C | CYS188 |
| C | ILE189 |
| C | SER190 |
| C | HOH225 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 C 224 |
| Chain | Residue |
| C | PRO16 |
| C | ASP17 |
| C | LYS132 |
| C | HOH231 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE VIB D 223 |
| Chain | Residue |
| B | LYS77 |
| B | ASP78 |
| D | TYR174 |
| D | LEU187 |
| D | CYS188 |
| D | ILE189 |
| D | SER190 |
