3NM1
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| A | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005575 | cellular_component | cellular_component |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009228 | biological_process | thiamine biosynthetic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| B | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005575 | cellular_component | cellular_component |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0009228 | biological_process | thiamine biosynthetic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| C | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005575 | cellular_component | cellular_component |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0009228 | biological_process | thiamine biosynthetic process |
| C | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0016740 | molecular_function | transferase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| D | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005575 | cellular_component | cellular_component |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0009228 | biological_process | thiamine biosynthetic process |
| D | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| D | 0016301 | molecular_function | kinase activity |
| D | 0016740 | molecular_function | transferase activity |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0000287 | molecular_function | magnesium ion binding |
| E | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| E | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| E | 0005524 | molecular_function | ATP binding |
| E | 0005575 | cellular_component | cellular_component |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0009228 | biological_process | thiamine biosynthetic process |
| E | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| E | 0016301 | molecular_function | kinase activity |
| E | 0016740 | molecular_function | transferase activity |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0000287 | molecular_function | magnesium ion binding |
| F | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| F | 0004789 | molecular_function | thiamine-phosphate diphosphorylase activity |
| F | 0005524 | molecular_function | ATP binding |
| F | 0005575 | cellular_component | cellular_component |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0009228 | biological_process | thiamine biosynthetic process |
| F | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| F | 0016301 | molecular_function | kinase activity |
| F | 0016740 | molecular_function | transferase activity |
| F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 3NM A 541 |
| Chain | Residue |
| A | ARG45 |
| A | IFP542 |
| A | POP543 |
| A | GLY138 |
| A | THR139 |
| A | THR143 |
| A | THR145 |
| A | LYS151 |
| A | GLY181 |
| A | VAL209 |
| A | SER210 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE IFP A 542 |
| Chain | Residue |
| A | TYR13 |
| A | GLN43 |
| A | HIS90 |
| A | SER114 |
| A | TYR134 |
| A | GLY136 |
| A | VAL177 |
| A | ILE179 |
| A | CYS207 |
| A | 3NM541 |
| A | POP543 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE POP A 543 |
| Chain | Residue |
| A | ARG45 |
| A | LYS47 |
| A | ASN75 |
| A | ASP76 |
| A | GLY92 |
| A | ASP95 |
| A | SER114 |
| A | LYS146 |
| A | 3NM541 |
| A | IFP542 |
| A | MG544 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 3NM F 541 |
| Chain | Residue |
| F | ARG45 |
| F | GLY138 |
| F | THR139 |
| F | THR143 |
| F | THR145 |
| F | LYS146 |
| F | LYS151 |
| F | GLY180 |
| F | GLY181 |
| F | VAL209 |
| F | SER210 |
| F | IFP542 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE IFP F 542 |
| Chain | Residue |
| F | TYR13 |
| F | GLN43 |
| F | HIS90 |
| F | SER114 |
| F | TYR134 |
| F | GLY136 |
| F | VAL177 |
| F | ILE179 |
| F | CYS207 |
| F | 3NM541 |
| F | POP543 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE POP F 543 |
| Chain | Residue |
| F | ARG45 |
| F | LYS47 |
| F | ASN75 |
| F | ASP76 |
| F | GLY92 |
| F | ASP95 |
| F | SER114 |
| F | LYS146 |
| F | IFP542 |
| F | MG544 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 3NM E 541 |
| Chain | Residue |
| E | ARG45 |
| E | GLY138 |
| E | THR139 |
| E | THR143 |
| E | THR145 |
| E | LYS151 |
| E | ILE179 |
| E | GLY181 |
| E | VAL209 |
| E | SER210 |
| E | IFP542 |
| E | POP543 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE IFP E 542 |
| Chain | Residue |
| E | TYR13 |
| E | VAL15 |
| E | GLN43 |
| E | HIS90 |
| E | SER114 |
| E | TYR134 |
| E | GLY136 |
| E | VAL177 |
| E | ILE179 |
| E | CYS207 |
| E | 3NM541 |
| E | POP543 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE POP E 543 |
| Chain | Residue |
| E | MG544 |
| E | ARG45 |
| E | LYS47 |
| E | ASN75 |
| E | GLY92 |
| E | ASP95 |
| E | SER114 |
| E | LYS146 |
| E | 3NM541 |
| E | IFP542 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 3NM D 541 |
| Chain | Residue |
| D | ARG45 |
| D | THR139 |
| D | THR143 |
| D | THR145 |
| D | LYS146 |
| D | LYS151 |
| D | GLY180 |
| D | GLY181 |
| D | VAL209 |
| D | SER210 |
| D | IFP542 |
| site_id | BC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE IFP D 542 |
| Chain | Residue |
| D | TYR13 |
| D | VAL15 |
| D | GLN43 |
| D | HIS90 |
| D | SER114 |
| D | TYR134 |
| D | GLY136 |
| D | VAL177 |
| D | ILE179 |
| D | CYS207 |
| D | 3NM541 |
| D | POP543 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE POP D 543 |
| Chain | Residue |
| D | ARG45 |
| D | LYS47 |
| D | ASN75 |
| D | ASP76 |
| D | GLY92 |
| D | ASP95 |
| D | SER114 |
| D | LYS146 |
| D | IFP542 |
| D | MG544 |
| site_id | BC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 3NM C 541 |
| Chain | Residue |
| C | ARG45 |
| C | GLY138 |
| C | THR139 |
| C | THR143 |
| C | THR145 |
| C | LYS151 |
| C | ILE179 |
| C | GLY181 |
| C | VAL209 |
| C | SER210 |
| C | IFP542 |
| C | POP543 |
| site_id | BC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE IFP C 542 |
| Chain | Residue |
| C | TYR13 |
| C | VAL15 |
| C | GLN43 |
| C | HIS90 |
| C | SER114 |
| C | TYR134 |
| C | GLY136 |
| C | VAL177 |
| C | ILE179 |
| C | CYS207 |
| C | 3NM541 |
| C | POP543 |
| site_id | BC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE POP C 543 |
| Chain | Residue |
| C | ARG45 |
| C | LYS47 |
| C | ASN75 |
| C | ASP76 |
| C | GLY92 |
| C | ASP95 |
| C | SER114 |
| C | LYS146 |
| C | 3NM541 |
| C | IFP542 |
| C | MG544 |
| site_id | BC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 3NM B 541 |
| Chain | Residue |
| B | ARG45 |
| B | GLY138 |
| B | THR139 |
| B | THR143 |
| B | THR145 |
| B | LYS151 |
| B | ILE179 |
| B | GLY181 |
| B | VAL209 |
| B | SER210 |
| B | IFP542 |
| site_id | BC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE IFP B 542 |
| Chain | Residue |
| B | TYR13 |
| B | VAL15 |
| B | GLN43 |
| B | ASN75 |
| B | HIS90 |
| B | SER114 |
| B | TYR134 |
| B | GLY136 |
| B | VAL177 |
| B | ILE179 |
| B | CYS207 |
| B | 3NM541 |
| B | POP543 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE POP B 543 |
| Chain | Residue |
| B | ARG45 |
| B | LYS47 |
| B | ASN75 |
| B | GLY92 |
| B | ASP95 |
| B | SER114 |
| B | LYS146 |
| B | IFP542 |
| B | MG544 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 544 |
| Chain | Residue |
| A | ASP76 |
| A | ASP95 |
| A | POP543 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG F 544 |
| Chain | Residue |
| F | ASP76 |
| F | ASP95 |
| F | POP543 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG E 544 |
| Chain | Residue |
| E | LYS47 |
| E | ASP76 |
| E | ASP95 |
| E | POP543 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 544 |
| Chain | Residue |
| D | ASN75 |
| D | ASP76 |
| D | GLY92 |
| D | ASP95 |
| D | POP543 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C 544 |
| Chain | Residue |
| C | LYS47 |
| C | ASP76 |
| C | ASP95 |
| C | POP543 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 544 |
| Chain | Residue |
| B | LYS47 |
| B | ASN75 |
| B | ASP76 |
| B | ASP95 |
| B | POP543 |
