MolNFT v1 · #169363 · protein
Crystal structure of aldehyde dehydrogenase C (aldc) mutant (C291A) from pseudomonas syringae in complexed with NAD+ and octanal
6X9L · Aldehyde dehydrogenase family protein: “Crystal structure of aldehyde dehydrogenase C (aldc) mutant (C291A) from pseudomonas syringae in complexed…”. X-ray diffraction, 2 ligands (OYA, NAD), 4 pockets (best druggability 0.77).…
- PDB
- 6X9L
- Type
- protein
- Length
- 969 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase family protein
- UniProt
- Q87YZ5
- Ligands
- OYA, NAD
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde dehydrogenase family protein | protein | 485 | 41% helix, 19% strand | Q87YZ5 |
| B | Aldehyde dehydrogenase family protein | protein | 484 | 42% helix, 20% strand | Q87YZ5 |
Ligands and binding sites
- OYA · Octanal · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.77 | 0.82 | 68 | OYA, NAD |
| 2 | 624 | 0.76 | 0.82 | 69 | OYA, NAD |
| 3 | 733 | 0.73 | 0.79 | 82 | empty |
| 4 | 61 | 0.39 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 408 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6X9L · Crystal Structure of Aldehyde Dehydrogenase C (AldC) mutant (C291A) from Pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q87YZ5
- Elsewhere: RCSB PDB 6X9L · PDBe 6X9L · UniProt Q87YZ5
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