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) PubChem (53338893) | |||
| 3 | F, SA (A, C) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (34768) PubChem (83862) PubChem (40467049) PubChem (40469468) PubChem (446048) PubChem (44348067) PubChem (45358029) PubChem (40459109) PubChem (515384) PubChem (46874558) PubChem (638042) PubChem (46875232) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (5316444) PubChem (5742864) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (12163610) PubChem (12358355) PubChem (92144436) PubChem (122197642) PubChem (12358354) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 4 | AA, BA, CA, DA, EA... (B, A, D, C) | MAGNESIUM ION | non-polymer | 24.3 | 27 | Chemie (MG) PubChem (888) | |||
| 5 | AB, AC, BB, CB, DB... (C, D, B, A) | SODIUM ION | non-polymer | 23.0 | 33 | Chemie (NA) PubChem (923) | |||
| 6 | BC, FB, GB, OA, PA... (D, C, B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) PubChem (8117) | |||
| 7 | HB, QA, V (C, B, A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) PubChem (271) | |||
| 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 |
