MolNFT v1 · #122623 · protein
Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+
5IUV · Aldehyde dehydrogenase family protein: “Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+”. X-ray diffraction, 1 ligand (NAD), 6 pockets (best druggability 0.82). MolNFT v1 #122623 on GenesisL1: 3D…
- PDB
- 5IUV
- Type
- protein
- Length
- 990 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase family protein
- UniProt
- Q88BC5
- Ligands
- NAD
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aldehyde dehydrogenase family protein | protein | 495 | 43% helix, 21% strand | Q88BC5 |
Ligands and binding sites
- 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.82 | 0.87 | 81 | empty |
| 2 | 618 | 0.74 | 0.81 | 62 | NAD |
| 3 | 591 | 0.73 | 0.80 | 58 | NAD |
| 4 | 329 | 0.67 | 0.82 | 55 | empty |
| 5 | 83 | 0.36 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2544 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
- 5IUV · Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+ · 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 Q88BC5
- Elsewhere: RCSB PDB 5IUV · PDBe 5IUV · UniProt Q88BC5
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