4ZWL
2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
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, E... (A, B, C, D, E...) | Betaine-aldehyde dehydrogenase | polymer | 517 | 57075.1 | 8 | UniProt (Q5HCU0) Pfam (PF00171) UniProt (by SIFTS) (A0A0M3KL40) | Staphylococcus aureus (strain COL) | |
| 2 | AA, EA, I, L, O... (G, H, A, B, C...) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 8 | Chemie (NAD) | |||
| 3 | BA, CA, DA, J, K... (G, A, B, C, D...) | SULFATE ION | non-polymer | 96.1 | 15 | Chemie (SO4) | |||
| 4 | FA, GA, HA, IA, JA... (A, B, C, D, E...) | water | water | 18.0 | 1195 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 496 (UniProt: Q5HCU0)
| PDB | External Database | Details |
|---|---|---|
| Met -20 | - | expression tag |
| Gly -19 | - | expression tag |
| Ser -18 | - | expression tag |
| Ser -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Ser -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Gly -8 | - | expression tag |
| Arg -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Phe 448 | His 448 | engineered mutation |
| Leu 450 | Tyr 450 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 456601.1 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 6748.3 | |
| All* | Total formula weight | 463349.4 |
