3RUX
Crystal structure of biotin-protein ligase BirA from Mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor
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) | BirA bifunctional protein | polymer | 270 | 28534.4 | 2 | UniProt (P96884) Pfam (PF03099) Pfam (PF02237) | Mycobacterium tuberculosis | POSSIBLE BIFUNCTIONAL PROTEIN BIRA: BIOTIN OPERON REPRESSOR + BIOTIN--[ACETYL-COA-CARBOXYLASE] SYNTHETASE (BIOTIN--PROTEIN LIGASE) |
| 2 | C, D (A, B) | 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine | non-polymer | 571.6 | 2 | Chemie (BS5) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 653 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 266 (UniProt: P96884)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
| Met 0 | - | expression tag |
| Val 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 57068.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1143.3 | |
| All* | Total formula weight | 58212.1 |
