Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0009228 | biological_process | thiamine biosynthetic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0009228 | biological_process | thiamine biosynthetic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 2005 |
| Chain | Residue |
| A | ASP93 |
| A | ASP112 |
| A | POP2003 |
| A | HOH3020 |
| A | HOH3051 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 2006 |
| Chain | Residue |
| B | ASP93 |
| B | ASP112 |
| B | POP2004 |
| B | HOH3022 |
| B | HOH3057 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TPS A 2001 |
| Chain | Residue |
| A | TYR29 |
| A | ILE31 |
| A | GLN57 |
| A | ARG59 |
| A | ASN92 |
| A | HIS107 |
| A | SER130 |
| A | THR156 |
| A | THR158 |
| A | ILE186 |
| A | GLY188 |
| A | MET207 |
| A | ILE208 |
| A | SER209 |
| A | POP2003 |
| A | HOH3001 |
| A | HOH3002 |
| A | HOH3063 |
| A | HOH3144 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TPS B 2002 |
| Chain | Residue |
| B | TYR29 |
| B | ILE31 |
| B | GLN57 |
| B | ARG59 |
| B | ASN92 |
| B | HIS107 |
| B | SER130 |
| B | THR156 |
| B | THR158 |
| B | LYS159 |
| B | ILE186 |
| B | GLY188 |
| B | MET207 |
| B | ILE208 |
| B | SER209 |
| B | POP2004 |
| B | HOH3003 |
| B | HOH3013 |
| B | HOH3169 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP A 2003 |
| Chain | Residue |
| A | ARG59 |
| A | LYS61 |
| A | ASN92 |
| A | ASP93 |
| A | GLY109 |
| A | ASP112 |
| A | SER130 |
| A | LYS159 |
| A | TPS2001 |
| A | MG2005 |
| A | HOH3020 |
| A | HOH3027 |
| A | HOH3051 |
| A | HOH3062 |
| A | HOH3098 |
| A | HOH3108 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP B 2004 |
| Chain | Residue |
| B | LYS61 |
| B | ASN92 |
| B | ASP93 |
| B | GLY109 |
| B | ASP112 |
| B | SER130 |
| B | LYS159 |
| B | TPS2002 |
| B | MG2006 |
| B | HOH3022 |
| B | HOH3029 |
| B | HOH3057 |
| B | HOH3081 |
| B | HOH3149 |
| B | HOH3202 |
| B | ARG59 |
| site_id | MGA |
| Number of Residues | 2 |
| Details | MG BINDING SITE |
| Chain | Residue |
| A | ASP93 |
| A | ASP112 |
| site_id | MGB |
| Number of Residues | 2 |
| Details | MG BINDING SITE |
| Chain | Residue |
| B | ASP93 |
| B | ASP112 |
| site_id | PPA |
| Number of Residues | 5 |
| Details | PYROPHOSPHATE BINDING SITE |
| Chain | Residue |
| A | ARG59 |
| A | LYS61 |
| A | LYS159 |
| A | SER130 |
| A | ASN92 |
| site_id | PPB |
| Number of Residues | 5 |
| Details | PYROPHOSPHATE BINDING SITE |
| Chain | Residue |
| B | ARG59 |
| B | LYS61 |
| B | LYS159 |
| B | SER130 |
| B | ASN92 |
| site_id | TPA |
| Number of Residues | 10 |
| Details | THIAMIN PHOSPHATE BINDING SITE |
| Chain | Residue |
| A | TYR29 |
| A | SER209 |
| A | HIS107 |
| A | TYR147 |
| A | ILE186 |
| A | ILE208 |
| A | GLN57 |
| A | THR156 |
| A | THR158 |
| A | GLY188 |
| site_id | TPB |
| Number of Residues | 10 |
| Details | THIAMIN PHOSPHATE BINDING SITE |
| Chain | Residue |
| B | TYR29 |
| B | HIS107 |
| B | TYR147 |
| B | ILE186 |
| B | ILE208 |
| B | GLN57 |
| B | THR156 |
| B | THR158 |
| B | GLY188 |
| B | SER209 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLN57 | |
| B | GLN57 | |
| B | ASN92 | |
| B | ASP93 | |
| B | ASP112 | |
| B | SER130 | |
| B | THR156 | |
| B | LYS159 | |
| B | GLY188 | |
| B | ILE208 | |
| A | ASN92 | |
| A | ASP93 | |
| A | ASP112 | |
| A | SER130 | |
| A | THR156 | |
| A | LYS159 | |
| A | GLY188 | |
| A | ILE208 | |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | a catalytic site defined by CSA, PubMed 10350464, 11513589 |
| Chain | Residue | Details |
| A | ARG59 | |
| A | SER130 | |
| A | LYS159 | |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | a catalytic site defined by CSA, PubMed 10350464, 11513589 |
| Chain | Residue | Details |
| B | ARG59 | |
| B | SER130 | |
| B | LYS159 | |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 364 |
| Chain | Residue | Details |
| A | ARG59 | electrostatic stabiliser |
| A | SER130 | electrostatic stabiliser, enhance reactivity |
| A | LYS159 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 364 |
| Chain | Residue | Details |
| B | ARG59 | electrostatic stabiliser |
| B | SER130 | electrostatic stabiliser, enhance reactivity |
| B | LYS159 | electrostatic stabiliser |
