MolNFT v1 · #135492 · protein
Fatty aldehyde dehydrogenase from marinobacter aquaeolei VT8 and cofactor complex
5U0M · N-succinylglutamate 5-semialdehyde dehydrogenase: “Fatty aldehyde dehydrogenase from marinobacter aquaeolei VT8 and cofactor complex”. X-ray diffraction, 1 ligand (NAD), 12 pockets (best druggability 0.80). MolNFT v1 #135492 on…
- PDB
- 5U0M
- Type
- protein
- Length
- 975 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-succinylglutamate 5-semialdehyde dehydrogenase
- EC
- 1.2.1.71
- UniProt
- A1U5W8
- Ligands
- NAD
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-succinylglutamate 5-semialdehyde dehydrogenase (EC 1.2.1.71) | protein | 488 | 38% helix, 23% strand | A1U5W8 |
| B | N-succinylglutamate 5-semialdehyde dehydrogenase (EC 1.2.1.71) | protein | 487 | 38% helix, 23% strand | A1U5W8 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.80 | 0.97 | 45 | empty |
| 2 | 848 | 0.77 | 0.80 | 93 | CIT, NAD |
| 3 | 89 | 0.76 | 0.98 | 20 | empty |
| 4 | 903 | 0.76 | 0.79 | 87 | CIT, NAD |
| 5 | 303 | 0.58 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 4071 Ų buried · 87 hydrogen bonds · protein-protein
Compared structures
- 5U0M · Fatty aldehyde dehydrogenase from Marinobacter aquaeolei VT8 and cofactor complex · the same entry in another collection · chain A against A, TM-score 1.00
- A1U5W8 · AlphaFold monomer V2.0 prediction for N-succinylglutamate 5-semialdehyde dehydrogenase… · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A1U5W8
- Elsewhere: RCSB PDB 5U0M · PDBe 5U0M · UniProt A1U5W8
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