6HK1
Crystal structure of the Thiazole synthase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0009228 | biological_process | thiamine biosynthetic process |
| A | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016763 | molecular_function | pentosyltransferase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0052837 | biological_process | thiazole biosynthetic process |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0009228 | biological_process | thiamine biosynthetic process |
| B | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016763 | molecular_function | pentosyltransferase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0052837 | biological_process | thiazole biosynthetic process |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0009228 | biological_process | thiamine biosynthetic process |
| C | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016763 | molecular_function | pentosyltransferase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0052837 | biological_process | thiazole biosynthetic process |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0009228 | biological_process | thiamine biosynthetic process |
| D | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016763 | molecular_function | pentosyltransferase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0052837 | biological_process | thiazole biosynthetic process |
| E | 0005506 | molecular_function | iron ion binding |
| E | 0009228 | biological_process | thiamine biosynthetic process |
| E | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| E | 0016740 | molecular_function | transferase activity |
| E | 0016763 | molecular_function | pentosyltransferase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0052837 | biological_process | thiazole biosynthetic process |
| F | 0005506 | molecular_function | iron ion binding |
| F | 0009228 | biological_process | thiamine biosynthetic process |
| F | 0009229 | biological_process | thiamine diphosphate biosynthetic process |
| F | 0016740 | molecular_function | transferase activity |
| F | 0016763 | molecular_function | pentosyltransferase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0052837 | biological_process | thiazole biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue TB A 301 |
| Chain | Residue |
| A | GLU29 |
| A | HOH402 |
| A | HOH473 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | binding site for residue TB A 302 |
| Chain | Residue |
| A | GLU82 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue TB A 304 |
| Chain | Residue |
| A | ASP177 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue TB A 307 |
| Chain | Residue |
| A | HOH475 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue TB A 308 |
| Chain | Residue |
| A | GLU257 |
| A | HOH444 |
| A | HOH482 |
| site_id | AC6 |
| Number of Residues | 28 |
| Details | binding site for residue 48F A 313 |
| Chain | Residue |
| A | VAL35 |
| A | GLY36 |
| A | GLY38 |
| A | PRO39 |
| A | SER40 |
| A | LEU58 |
| A | GLU59 |
| A | ARG60 |
| A | HIS61 |
| A | GLY66 |
| A | GLY67 |
| A | VAL131 |
| A | VAL133 |
| A | HIS159 |
| A | ASP161 |
| A | ALA173 |
| A | THR174 |
| A | GLY175 |
| A | SER179 |
| A | GLY225 |
| A | MET226 |
| A | GLY238 |
| A | ILE240 |
| A | PHE241 |
| A | MET244 |
| A | HOH422 |
| A | HOH429 |
| A | HOH435 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 314 |
| Chain | Residue |
| A | ASP26 |
| A | VAL55 |
| A | GLY124 |
| A | LYS126 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue PGE A 315 |
| Chain | Residue |
| A | GLU216 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue TB B 301 |
| Chain | Residue |
| B | ASP177 |
| site_id | AD1 |
| Number of Residues | 1 |
| Details | binding site for residue TB B 302 |
| Chain | Residue |
| B | GLU29 |
| site_id | AD2 |
| Number of Residues | 1 |
| Details | binding site for residue TB B 303 |
| Chain | Residue |
| B | GLU51 |
| site_id | AD3 |
| Number of Residues | 26 |
| Details | binding site for residue 48F B 306 |
| Chain | Residue |
| B | VAL35 |
| B | GLY36 |
| B | GLY38 |
| B | PRO39 |
| B | SER40 |
| B | LEU58 |
| B | GLU59 |
| B | ARG60 |
| B | HIS61 |
| B | GLY66 |
| B | GLY67 |
| B | VAL131 |
| B | VAL133 |
| B | ALA173 |
| B | THR174 |
| B | GLY175 |
| B | SER179 |
| B | GLY225 |
| B | MET226 |
| B | GLY238 |
| B | PHE241 |
| B | MET244 |
| B | HOH407 |
| B | HOH415 |
| F | HIS159 |
| F | ASP161 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue TB C 301 |
| Chain | Residue |
| C | GLU29 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue TB C 302 |
| Chain | Residue |
| C | GLU51 |
| C | HOH461 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue TB C 303 |
| Chain | Residue |
| C | ASP177 |
| C | HOH447 |
| site_id | AD7 |
| Number of Residues | 1 |
| Details | binding site for residue TB C 304 |
| Chain | Residue |
| C | LYS6 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue TB C 305 |
| Chain | Residue |
| C | LYS205 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue TB C 308 |
| Chain | Residue |
| C | LYS97 |
| site_id | AE1 |
| Number of Residues | 25 |
| Details | binding site for residue 48F C 309 |
| Chain | Residue |
| C | MET244 |
| C | HOH406 |
| C | HOH411 |
| D | HIS159 |
| D | ASP161 |
| C | VAL35 |
| C | GLY36 |
| C | GLY38 |
| C | PRO39 |
| C | SER40 |
| C | LEU58 |
| C | GLU59 |
| C | ARG60 |
| C | HIS61 |
| C | GLY66 |
| C | GLY67 |
| C | VAL133 |
| C | ALA173 |
| C | THR174 |
| C | GLY175 |
| C | SER179 |
| C | GLY225 |
| C | MET226 |
| C | GLY238 |
| C | PHE241 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue PEG C 310 |
| Chain | Residue |
| C | VAL217 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 301 |
| Chain | Residue |
| D | GLU29 |
| site_id | AE4 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 302 |
| Chain | Residue |
| E | HOH474 |
| site_id | AE5 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 303 |
| Chain | Residue |
| D | GLU51 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 304 |
| Chain | Residue |
| D | ASP177 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 305 |
| Chain | Residue |
| D | ASP2 |
| site_id | AE8 |
| Number of Residues | 1 |
| Details | binding site for residue TB D 306 |
| Chain | Residue |
| D | GLU82 |
| site_id | AE9 |
| Number of Residues | 26 |
| Details | binding site for residue 48F D 308 |
| Chain | Residue |
| C | HIS159 |
| C | ASP161 |
| D | VAL35 |
| D | GLY36 |
| D | GLY38 |
| D | PRO39 |
| D | SER40 |
| D | LEU58 |
| D | GLU59 |
| D | ARG60 |
| D | HIS61 |
| D | GLY66 |
| D | GLY67 |
| D | VAL131 |
| D | VAL133 |
| D | ALA173 |
| D | THR174 |
| D | GLY175 |
| D | SER179 |
| D | GLY225 |
| D | MET226 |
| D | MET237 |
| D | GLY238 |
| D | PHE241 |
| D | MET244 |
| D | HOH412 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue TB E 301 |
| Chain | Residue |
| E | GLU29 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue TB E 302 |
| Chain | Residue |
| A | HOH490 |
| E | GLU257 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue TB E 303 |
| Chain | Residue |
| E | ASP90 |
| E | HOH415 |
| E | HOH460 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue TB E 304 |
| Chain | Residue |
| E | ASP177 |
| E | HOH464 |
| site_id | AF5 |
| Number of Residues | 1 |
| Details | binding site for residue TB E 306 |
| Chain | Residue |
| E | ASP2 |
| site_id | AF6 |
| Number of Residues | 1 |
| Details | binding site for residue TB E 307 |
| Chain | Residue |
| E | GLU102 |
| site_id | AF7 |
| Number of Residues | 29 |
| Details | binding site for residue 48F E 312 |
| Chain | Residue |
| E | VAL35 |
| E | GLY36 |
| E | GLY38 |
| E | PRO39 |
| E | SER40 |
| E | LEU58 |
| E | GLU59 |
| E | ARG60 |
| E | HIS61 |
| E | GLY66 |
| E | GLY67 |
| E | VAL131 |
| E | VAL133 |
| E | HIS159 |
| E | ASP161 |
| E | ALA173 |
| E | THR174 |
| E | GLY175 |
| E | SER179 |
| E | GLY225 |
| E | MET226 |
| E | MET237 |
| E | GLY238 |
| E | PHE241 |
| E | MET244 |
| E | HOH401 |
| E | HOH413 |
| E | HOH420 |
| E | HOH430 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue NA E 313 |
| Chain | Residue |
| A | TYR10 |
| E | ILE28 |
| E | THR164 |
| E | ILE165 |
| E | ASN166 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue PGE E 314 |
| Chain | Residue |
| E | GLU216 |
| E | PRO219 |
| site_id | AG1 |
| Number of Residues | 1 |
| Details | binding site for residue TB F 301 |
| Chain | Residue |
| F | ASP177 |
| site_id | AG2 |
| Number of Residues | 3 |
| Details | binding site for residue TB F 302 |
| Chain | Residue |
| F | GLU29 |
| F | HOH401 |
| F | HOH426 |
| site_id | AG3 |
| Number of Residues | 1 |
| Details | binding site for residue TB F 303 |
| Chain | Residue |
| F | GLU51 |
| site_id | AG4 |
| Number of Residues | 1 |
| Details | binding site for residue TB F 304 |
| Chain | Residue |
| F | LYS6 |
| site_id | AG5 |
| Number of Residues | 1 |
| Details | binding site for residue TB F 306 |
| Chain | Residue |
| F | LYS97 |
| site_id | AG6 |
| Number of Residues | 27 |
| Details | binding site for residue 48F F 307 |
| Chain | Residue |
| B | HIS159 |
| B | ASP161 |
| F | VAL35 |
| F | GLY36 |
| F | GLY38 |
| F | PRO39 |
| F | SER40 |
| F | LEU58 |
| F | GLU59 |
| F | ARG60 |
| F | HIS61 |
| F | GLY66 |
| F | GLY67 |
| F | VAL131 |
| F | VAL133 |
| F | ALA173 |
| F | THR174 |
| F | GLY175 |
| F | SER179 |
| F | GLY225 |
| F | MET226 |
| F | GLY238 |
| F | PHE241 |
| F | MET244 |
| F | HOH405 |
| F | HOH408 |
| F | HOH415 |
| site_id | AG7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL F 308 |
| Chain | Residue |
| F | ASP26 |
| F | LYS54 |
| F | VAL55 |
| F | GLY124 |
| site_id | AG8 |
| Number of Residues | 3 |
| Details | binding site for residue PGE F 309 |
| Chain | Residue |
| F | GLU216 |
| F | VAL217 |
| F | PRO219 |
