Research workbench
Crystal structure of aminoaldehyde dehydrogenase 2 from pisum sativum (PSAMADH2)
Analyse Crystal structure of aminoaldehyde dehydrogenase 2 from pisum sativum (PSAMADH2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IWJ
- Type
- protein
- Length
- 1,000 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative aminoaldehyde dehydrogenase
- EC
- 1.2.1.19
- UniProt
- Q93YB2
- Ligands
- NAD, NA
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative aminoaldehyde dehydrogenase (EC 1.2.1.19) | protein | 500 | 41% helix, 20% strand | Q93YB2 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.86 | 0.87 | 116 | GOL |
| 2 | 212 | 0.74 | 0.89 | 39 | GOL |
| 3 | 191 | 0.72 | 0.88 | 37 | GOL |
| 4 | 289 | 0.58 | 0.78 | 38 | NAD |
| 5 | 300 | 0.57 | 0.76 | 40 | NAD |
Interfaces
1 interface between chains.
- A–B · 3913 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
- 3IWJ · Crystal structure of aminoaldehyde dehydrogenase 2 from Pisum sativum (PsAMADH2) · 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 Q93YB2
- Elsewhere: RCSB PDB 3IWJ · PDBe 3IWJ · UniProt Q93YB2
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