4QTO
1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Betaine aldehyde dehydrogenase | polymer | 520 | 57504.6 | 4 | UniProt (Q5HCU0) In PDB | Staphylococcus aureus subsp. aureus COL | |
2 | A, B, C, D | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
3 | A, B, C, D | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 5 | Chemie (PGE) | |||
4 | A, B, D | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 6 | Chemie (PEG) | |||
5 | A, B | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 2 | Chemie (TRS) | |||
6 | C | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
7 | C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
8 | water | water | 18.0 | 2663 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 496 (UniProt: Q5HCU0)
PDB | External Database | Details |
---|---|---|
Met -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
Ser -16 | - | expression tag |
Ser -15 | - | expression tag |
Gly -14 | - | expression tag |
Val -13 | - | expression tag |
Asp -12 | - | expression tag |
Leu -11 | - | expression tag |
Gly -10 | - | expression tag |
Thr -9 | - | expression tag |
Glu -8 | - | expression tag |
Asn -7 | - | expression tag |
Leu -6 | - | expression tag |
Tyr -5 | - | expression tag |
Phe -4 | - | expression tag |
Gln -3 | - | expression tag |
Ser -2 | - | expression tag |
Asn -1 | - | expression tag |
Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 230018.3 | |
Non-Polymers* | Number of molecules | 19 |
Total formula weight | 1980.1 | |
All* | Total formula weight | 231998.5 |