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 | Bifunctional ligase/repressor BirA | polymer | 270 | 28534.4 | 2 | UniProt (A0A045H8W3) Pfam (PF03099) Pfam (PF02237) UniProt (by SIFTS) (I6YFP0) In PDB | Mycobacterium tuberculosis | Biotin--acetyl-CoA-carboxylase ligase,Biotin-protein ligase,BirA protein |
2 | 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 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
4 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
5 | 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 |