2F17
Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004788 | molecular_function | thiamine diphosphokinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005829 | cellular_component | cytosol |
| A | 0006772 | biological_process | thiamine metabolic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0010510 | biological_process | regulation of pyruvate decarboxylation to acetyl-CoA |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0030975 | molecular_function | thiamine binding |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0141200 | molecular_function | UTP thiamine diphosphokinase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004788 | molecular_function | thiamine diphosphokinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0006772 | biological_process | thiamine metabolic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0010510 | biological_process | regulation of pyruvate decarboxylation to acetyl-CoA |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0030975 | molecular_function | thiamine binding |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0141200 | molecular_function | UTP thiamine diphosphokinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 901 |
| Chain | Residue |
| A | ASP46 |
| A | ASP71 |
| A | ASP73 |
| A | ASP100 |
| A | AMP301 |
| A | PYI902 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 902 |
| Chain | Residue |
| B | EPE2201 |
| B | PYI2202 |
| B | ASP46 |
| B | ASP71 |
| B | ASP100 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 401 |
| Chain | Residue |
| A | GLY58 |
| A | ARG60 |
| A | SO4405 |
| A | HOH905 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 402 |
| Chain | Residue |
| B | GLY58 |
| B | GLU59 |
| B | ARG60 |
| B | TYR82 |
| B | HOH2264 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 403 |
| Chain | Residue |
| A | HIS98 |
| A | THR99 |
| A | THR102 |
| A | ASN140 |
| A | THR141 |
| A | GLN144 |
| A | PYI902 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 405 |
| Chain | Residue |
| A | LYS85 |
| A | LYS86 |
| A | SO4401 |
| A | HOH905 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 406 |
| Chain | Residue |
| A | LEU142 |
| A | VAL151 |
| A | PRO152 |
| A | ILE153 |
| A | TYR163 |
| A | HOH904 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE EPE B 2201 |
| Chain | Residue |
| B | LEU24 |
| B | ASN25 |
| B | ASP46 |
| B | GLY47 |
| B | SER74 |
| B | THR99 |
| B | ASP100 |
| B | PHE101 |
| B | ALA137 |
| B | SER138 |
| B | MG902 |
| B | PYI2202 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE PYI A 902 |
| Chain | Residue |
| A | GLN96 |
| A | ASP97 |
| A | HIS98 |
| A | THR99 |
| A | ASP100 |
| A | ARG131 |
| A | GLN134 |
| A | AMP301 |
| A | SO4403 |
| A | MG901 |
| A | HOH906 |
| A | HOH925 |
| B | TRP202 |
| B | SER216 |
| B | THR217 |
| B | SER218 |
| site_id | BC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PYI B 2202 |
| Chain | Residue |
| A | TRP202 |
| A | SER216 |
| A | THR217 |
| A | SER218 |
| A | ASN219 |
| B | ASP71 |
| B | GLN96 |
| B | ASP97 |
| B | HIS98 |
| B | THR99 |
| B | ASP100 |
| B | ARG131 |
| B | MG902 |
| B | EPE2201 |
| site_id | BC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE AMP A 301 |
| Chain | Residue |
| A | LEU24 |
| A | ASN25 |
| A | GLN26 |
| A | ALA45 |
| A | ASP46 |
| A | GLY47 |
| A | SER74 |
| A | THR99 |
| A | ASP100 |
| A | PHE101 |
| A | GLY127 |
| A | GLY129 |
| A | GLY130 |
| A | ARG131 |
| A | GLN134 |
| A | MG901 |
| A | PYI902 |
| A | HOH942 |
