4LRS
Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 4-hydroxy-2-oxovalerate aldolase | polymer | 355 | 37326.9 | 1 | UniProt (D1A3K8) Pfam (PF00682) Pfam (PF07836) | Thermomonospora curvata | HOA, 4-hydroxy-2-keto-pentanoic acid aldolase, 4-hydroxy-2-oxopentanoate aldolase |
| 2 | B (B) | Acetaldehyde dehydrogenase | polymer | 323 | 34127.8 | 1 | UniProt (D1A3K7) Pfam (PF01118) Pfam (PF09290) | Thermomonospora curvata | Acetaldehyde dehydrogenase [acetylating] |
| 3 | C (N) | Symmetric aldolase, C-terminal disordered residues | polymer | 3 | 231.2 | 1 | Thermomonospora curvata | ||
| 4 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | E (A) | PYRUVIC ACID | non-polymer | 88.1 | 1 | Chemie (PYR) | |||
| 6 | F, O (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | G (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 8 | H, P, Q, R, S... (A, B) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 9 | I, J, K, L, M... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 10 | N (B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 1 | Chemie (NAD) | |||
| 11 | W (B) | FORMYL GROUP | non-polymer | 30.0 | 1 | Chemie (FOR) | |||
| 12 | X, Y, Z (A, B, N) | water | water | 18.0 | 565 | Chemie (HOH) |
Sequence modifications
B: 21 - 323 (UniProt: D1A3K7)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Gly 2 | - | expression tag |
| Ser 3 | - | expression tag |
| Ser 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| His 9 | - | expression tag |
| His 10 | - | expression tag |
| Ser 11 | - | expression tag |
| Ser 12 | - | expression tag |
| Gly 13 | - | expression tag |
| Leu 14 | - | expression tag |
| Val 15 | - | expression tag |
| Pro 16 | - | expression tag |
| Arg 17 | - | expression tag |
| Gly 18 | - | expression tag |
| Ser 19 | - | expression tag |
| His 20 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 71685.9 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2268.2 | |
| All* | Total formula weight | 73954.1 |
