4XU1
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
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) | Bifunctional ligase/repressor BirA | polymer | 270 | 28534.4 | 2 | UniProt (A0A045H8W3) Pfam (PF03099) Pfam (PF02237) UniProt (by SIFTS) (I6YFP0) | Mycobacterium tuberculosis | Biotin--acetyl-CoA-carboxylase ligase,Biotin-protein ligase,BirA protein |
| 2 | C, F (A, B) | [(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate | non-polymer | 555.6 | 2 | Chemie (44O) | |||
| 3 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | E, G (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 654 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 266 (UniProt: A0A045H8W3)
| 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 | 5 |
| Total formula weight | 1329.6 | |
| All* | Total formula weight | 58398.5 |
