5DIB
2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified 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 | Betaine aldehyde dehydrogenase | polymer | 517 | 57142.2 | 4 | UniProt (Q9L4P8) Pfam (PF00171) In PDB | Staphylococcus aureus | Betaine-aldehyde dehydrogenase |
2 | A, B, C, D | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
3 | A, B | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
4 | A | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
5 | water | water | 18.0 | 867 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 496 (UniProt: Q9L4P8)
PDB | External Database | Details |
---|---|---|
Met -20 | - | initiating methionine |
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 |
Leu 450 | Tyr 450 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 228568.9 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 3199.3 | |
All* | Total formula weight | 231768.2 |