5X8F
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 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, C, D (A, B, C, D) | 2-succinylbenzoate--CoA ligase | polymer | 485 | 54222.9 | 4 | UniProt (P23971) Pfam (PF00501) Pfam (PF13193) | Bacillus subtilis subsp. subtilis str. 168 | o-succinylbenzoyl-CoA synthetase,OSB-CoA synthetase |
| 2 | E, IB, RA, W (A, D, C, B) | o-succinylbenzoyl-N-coenzyme A | non-polymer | 954.7 | 4 | Chemie (S0N) | |||
| 3 | F, SA (A, C) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) | |||
| 4 | AA, BA, CA, DA, EA... (B, A, D, C) | MAGNESIUM ION | non-polymer | 24.3 | 27 | Chemie (MG) | |||
| 5 | AB, AC, BB, CB, DB... (C, D, B, A) | SODIUM ION | non-polymer | 23.0 | 33 | Chemie (NA) | |||
| 6 | BC, FB, GB, OA, PA... (D, C, B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 7 | HB, QA, V (C, B, A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 8 | CC, DC, EC, FC (A, B, C, D) | water | water | 18.0 | 2032 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 76 |
| Total formula weight | 6791.1 | |
| All* | Total formula weight | 223682.9 |
