3TFU
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle 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 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | polymer | 457 | 48536.5 | 2 | UniProt (P0A4X6) Pfam (PF00202) UniProt (by SIFTS) (P9WQ81) In PDB | Mycobacterium tuberculosis | 7,8-diamino-pelargonic acid aminotransferase, DAPA AT, DAPA aminotransferase, 7,8-diaminononanoate synthase, DANS, Diaminopelargonic acid synthase |
2 | A, B | [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | non-polymer | 399.3 | 2 | Chemie (PL8) | |||
3 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
4 | water | water | 18.0 | 701 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 437 (UniProt: P0A4X6)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 97073.0 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 876.8 | |
All* | Total formula weight | 97949.8 |