2F98
Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0016872 | molecular_function | intramolecular lyase activity |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| A | 0030638 | biological_process | polyketide metabolic process |
| A | 0044598 | biological_process | doxorubicin metabolic process |
| A | 1901771 | biological_process | daunorubicin biosynthetic process |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0016872 | molecular_function | intramolecular lyase activity |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0030638 | biological_process | polyketide metabolic process |
| B | 0044598 | biological_process | doxorubicin metabolic process |
| B | 1901771 | biological_process | daunorubicin biosynthetic process |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0016872 | molecular_function | intramolecular lyase activity |
| C | 0017000 | biological_process | antibiotic biosynthetic process |
| C | 0030638 | biological_process | polyketide metabolic process |
| C | 0044598 | biological_process | doxorubicin metabolic process |
| C | 1901771 | biological_process | daunorubicin biosynthetic process |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0016872 | molecular_function | intramolecular lyase activity |
| D | 0017000 | biological_process | antibiotic biosynthetic process |
| D | 0030638 | biological_process | polyketide metabolic process |
| D | 0044598 | biological_process | doxorubicin metabolic process |
| D | 1901771 | biological_process | daunorubicin biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 276 |
| Chain | Residue |
| A | THR139 |
| A | GLU140 |
| B | HIS110 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 277 |
| Chain | Residue |
| C | HIS110 |
| D | THR139 |
| D | GLU140 |
| D | HOH380 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 278 |
| Chain | Residue |
| C | HIS141 |
| C | HOH403 |
| D | HIS110 |
| C | THR139 |
| C | GLU140 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 279 |
| Chain | Residue |
| A | HIS110 |
| B | THR139 |
| B | GLU140 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE NGV A 333 |
| Chain | Residue |
| A | THR36 |
| A | PHE39 |
| A | ASN51 |
| A | TRP54 |
| A | PHE59 |
| A | MET91 |
| A | VAL92 |
| A | MET94 |
| A | PRO123 |
| A | TYR125 |
| A | THR128 |
| A | HOH368 |
| A | HOH371 |
| A | HOH391 |
| A | HOH404 |
| B | TRP122 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE NGV D 334 |
| Chain | Residue |
| C | TRP122 |
| D | THR36 |
| D | PHE39 |
| D | TRP54 |
| D | PHE59 |
| D | MET91 |
| D | VAL92 |
| D | MET94 |
| D | PRO123 |
| D | TYR125 |
| D | THR128 |
| D | HOH342 |
| D | HOH349 |
| D | HOH382 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE NGV C 335 |
| Chain | Residue |
| C | THR36 |
| C | PHE39 |
| C | TRP54 |
| C | PHE59 |
| C | MET91 |
| C | VAL92 |
| C | MET94 |
| C | PRO123 |
| C | TYR125 |
| C | THR128 |
| C | HOH347 |
| C | HOH351 |
| C | HOH360 |
| D | TRP122 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE NGV B 336 |
| Chain | Residue |
| A | TRP122 |
| B | THR36 |
| B | PHE39 |
| B | TRP54 |
| B | PHE59 |
| B | MET91 |
| B | VAL92 |
| B | MET94 |
| B | PRO123 |
| B | TYR125 |
| B | THR128 |
| B | HOH345 |
| B | HOH366 |
| B | HOH369 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ASN51 | |
| A | GLN105 | |
| B | ASN51 | |
| B | GLN105 | |
| C | ASN51 | |
| C | GLN105 | |
| D | ASN51 | |
| D | GLN105 |
