5CGE
Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(2-methyl-1H-imidazole-1-yl)ethanol
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0009228 | biological_process | thiamine biosynthetic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0009228 | biological_process | thiamine biosynthetic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0009228 | biological_process | thiamine biosynthetic process |
| C | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0009228 | biological_process | thiamine biosynthetic process |
| D | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| D | 0016301 | molecular_function | kinase activity |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0000287 | molecular_function | magnesium ion binding |
| E | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| E | 0005524 | molecular_function | ATP binding |
| E | 0009228 | biological_process | thiamine biosynthetic process |
| E | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| E | 0016301 | molecular_function | kinase activity |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0000287 | molecular_function | magnesium ion binding |
| F | 0004417 | molecular_function | hydroxyethylthiazole kinase activity |
| F | 0005524 | molecular_function | ATP binding |
| F | 0009228 | biological_process | thiamine biosynthetic process |
| F | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| F | 0016301 | molecular_function | kinase activity |
| F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue 51F A 301 |
| Chain | Residue |
| A | PRO37 |
| A | ALA38 |
| A | MET39 |
| C | GLY61 |
| C | THR186 |
| C | CYS190 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 302 |
| Chain | Residue |
| A | HOH402 |
| A | HOH426 |
| A | HOH459 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue 51F B 301 |
| Chain | Residue |
| A | ASN19 |
| A | GLY61 |
| A | THR186 |
| A | CYS190 |
| A | HOH470 |
| B | PRO37 |
| B | MET39 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue MG B 302 |
| Chain | Residue |
| B | HOH406 |
| B | HOH484 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue 51F C 301 |
| Chain | Residue |
| B | ASN19 |
| B | GLY61 |
| B | THR186 |
| B | CYS190 |
| C | PRO37 |
| C | MET39 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue MG C 302 |
| Chain | Residue |
| C | ASP88 |
| C | GLY116 |
| C | GLU120 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 303 |
| Chain | Residue |
| C | LEU57 |
| C | ASN59 |
| C | ASP88 |
| C | CYS190 |
| C | GLY193 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue 51F E 301 |
| Chain | Residue |
| E | PRO37 |
| E | ALA38 |
| E | MET39 |
| F | GLY61 |
| F | THR186 |
| F | CYS190 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue MG E 302 |
| Chain | Residue |
| E | ASP88 |
| E | GLU120 |
| E | HOH452 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue 51F D 301 |
| Chain | Residue |
| D | PRO37 |
| D | MET39 |
| E | GLY61 |
| E | VAL90 |
| E | THR186 |
| E | CYS190 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue 51F D 302 |
| Chain | Residue |
| D | GLY61 |
| D | THR186 |
| D | CYS190 |
| F | PRO37 |
| F | MET39 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00228 |
| Chain | Residue | Details |
| A | MET39 | |
| C | LYS115 | |
| C | THR160 | |
| C | GLY187 | |
| E | MET39 | |
| E | LYS115 | |
| E | THR160 | |
| E | GLY187 | |
| D | MET39 | |
| D | LYS115 | |
| D | THR160 | |
| A | LYS115 | |
| D | GLY187 | |
| F | MET39 | |
| F | LYS115 | |
| F | THR160 | |
| F | GLY187 | |
| A | THR160 | |
| A | GLY187 | |
| B | MET39 | |
| B | LYS115 | |
| B | THR160 | |
| B | GLY187 | |
| C | MET39 |
