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 | 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 | 0016301 | molecular_function | kinase activity |
A | 0030975 | molecular_function | thiamine binding |
A | 0042723 | biological_process | thiamine-containing compound metabolic process |
A | 0042802 | molecular_function | identical protein 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 | 0016301 | molecular_function | kinase activity |
B | 0030975 | molecular_function | thiamine binding |
B | 0042723 | biological_process | thiamine-containing compound metabolic process |
B | 0042802 | molecular_function | identical protein binding |
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 |