2I80
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | D-alanine-D-alanine ligase | polymer | 360 | 40796.0 | 2 | UniProt (Q5HEB7) Pfam (PF01820) Pfam (PF07478) | Staphylococcus aureus | D-alanylalanine synthetase, D-Ala-D-Ala ligase |
| 2 | C, D (A, B) | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | non-polymer | 279.7 | 2 | Chemie (G1L) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 80 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 356 (UniProt: Q5HEB7)
| PDB | External Database | Details |
|---|---|---|
| Arg 357 | - | cloning artifact |
| Ser 358 | - | cloning artifact |
| His 359 | - | cloning artifact |
| His 360 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 81592.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 559.4 | |
| All* | Total formula weight | 82151.4 |
