5X8G
Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, D, C | 2-succinylbenzoate--CoA ligase | polymer | 485 | 54222.9 | 4 | UniProt (P23971) Pfam (PF00501) Pfam (PF13193) In PDB | Bacillus subtilis subsp. subtilis str. 168 | o-succinylbenzoyl-CoA synthetase,OSB-CoA synthetase |
| 2 | A, C, B, D | o-succinylbenzoyl-N-coenzyme A | non-polymer | 954.7 | 4 | Chemie (S0N) | |||
| 3 | A, C, B, D | MAGNESIUM ION | non-polymer | 24.3 | 9 | Chemie (MG) | |||
| 4 | C, A, B, D | CALCIUM ION | non-polymer | 40.1 | 8 | Chemie (CA) | |||
| 5 | C, A, B, D | SODIUM ION | non-polymer | 23.0 | 5 | Chemie (NA) | |||
| 6 | D, C, A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 7 | water | water | 18.0 | 1679 | Chemie (HOH) |
Sequence modifications
A, B, D, C: 2 - 486 (UniProt: P23971)
| PDB | External Database | Details |
|---|---|---|
| Arg 454 | Ile 454 | engineered mutation |
| Lys 456 | Ala 456 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 216891.8 | |
| Non-Polymers* | Number of molecules | 33 |
| Total formula weight | 5215.8 | |
| All* | Total formula weight | 222107.6 |
