3IHK
Crystal Structure of thiamin pyrophosphokinase from S.mutans, Northeast Structural Genomics Consortium Target SmR83
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 |
A | 0046872 | molecular_function | metal ion binding |
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 |
B | 0046872 | molecular_function | metal ion binding |
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 |
C | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE TPP A 902 |
Chain | Residue |
A | ASP45 |
A | PHE177 |
A | TYR182 |
A | SER183 |
A | SER184 |
A | MG219 |
A | MG220 |
A | ASP47 |
A | LYS71 |
A | ASN72 |
A | THR74 |
A | ASP75 |
A | ARG101 |
A | HIS104 |
A | TYR169 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG A 219 |
Chain | Residue |
A | ASP45 |
A | ASP47 |
A | MG220 |
A | TPP902 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MG A 220 |
Chain | Residue |
A | ASP26 |
A | ASP45 |
A | ASP47 |
A | SER48 |
A | ASP75 |
A | MG219 |
A | TPP902 |
site_id | AC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE PO4 A 221 |
Chain | Residue |
A | HIS141 |
A | GLN142 |
site_id | AC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE PO4 A 222 |
Chain | Residue |
A | PRO115 |
A | GLN178 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PO4 A 223 |
Chain | Residue |
A | TYR14 |
A | PHE15 |
A | PO4224 |
site_id | AC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE PO4 A 224 |
Chain | Residue |
A | ARG17 |
A | PO4223 |
site_id | AC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE PO4 A 225 |
Chain | Residue |
A | HIS161 |
A | ALA197 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 A 226 |
Chain | Residue |
A | GLY9 |
A | GLY99 |
A | ARG101 |
A | HIS104 |
site_id | BC1 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE TPP C 902 |
Chain | Residue |
B | LYS71 |
B | ASN72 |
B | ASP73 |
B | THR74 |
B | ASP75 |
B | ARG101 |
B | HIS104 |
B | MG219 |
B | MG220 |
C | TYR169 |
C | TYR182 |
C | SER183 |
C | SER184 |
C | ASN185 |
site_id | BC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MG B 219 |
Chain | Residue |
B | ASP26 |
B | ASP45 |
B | ASP47 |
B | SER48 |
B | ASP75 |
B | MG220 |
C | TPP902 |
site_id | BC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG B 220 |
Chain | Residue |
B | ASP45 |
B | ASP47 |
B | MG219 |
C | TPP902 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 B 221 |
Chain | Residue |
B | GLY9 |
B | GLY99 |
B | GLY100 |
B | ARG101 |
site_id | BC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 B 222 |
Chain | Residue |
B | TYR176 |
B | PHE177 |
B | GLN178 |
C | PRO115 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PO4 B 223 |
Chain | Residue |
B | THR13 |
B | TYR14 |
B | PHE15 |
B | PO4224 |
B | PO4226 |
site_id | BC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE PO4 B 224 |
Chain | Residue |
B | ARG17 |
B | PO4223 |
site_id | BC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PO4 B 225 |
Chain | Residue |
B | VAL90 |
B | ARG122 |
B | CYS123 |
site_id | BC9 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE PO4 B 226 |
Chain | Residue |
B | PO4223 |
site_id | CC1 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE TPP C 219 |
Chain | Residue |
C | MG221 |
B | TYR169 |
B | PHE177 |
B | TYR182 |
B | SER183 |
B | SER184 |
B | ASN185 |
C | LYS71 |
C | ASN72 |
C | ASP73 |
C | THR74 |
C | ASP75 |
C | ARG101 |
C | HIS104 |
C | MG220 |
site_id | CC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG C 220 |
Chain | Residue |
C | ASP26 |
C | ASP45 |
C | ASP47 |
C | ASP75 |
C | TPP219 |
site_id | CC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG C 221 |
Chain | Residue |
C | ASP45 |
C | ASP47 |
C | LYS71 |
C | TPP219 |
site_id | CC4 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE PO4 C 222 |
Chain | Residue |
C | GLU170 |
site_id | CC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PO4 C 223 |
Chain | Residue |
C | ASN158 |
C | SER198 |
C | GLY199 |
site_id | CC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PO4 C 224 |
Chain | Residue |
C | ALA197 |
C | SER198 |
C | GLY199 |
site_id | CC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 C 225 |
Chain | Residue |
C | GLY9 |
C | GLY99 |
C | ARG101 |
C | HIS104 |