MolNFT v1 · #47071 · protein
ARG475GLN mutant of mitochondrial aldehyde dehydrogenase, apo form, pseudo-merohedrally twinned
2ONO: “ARG475GLN mutant of mitochondrial aldehyde dehydrogenase, apo form, pseudo-merohedrally twinned”. X-ray diffraction, 20 pockets (best druggability 0.90). MolNFT v1 #47071 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ONO
- Type
- protein
- Length
- 3,952 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase
- EC
- 1.2.1.3
- UniProt
- P05091
- Pockets
- 20 · best druggability 0.90
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Aldehyde dehydrogenase (EC 1.2.1.3) | protein | 494 | 40% helix, 21% strand | P05091 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 801 | 0.90 | 0.94 | 88 | empty |
| 2 | 801 | 0.89 | 0.92 | 72 | empty |
| 3 | 977 | 0.84 | 0.85 | 130 | empty |
| 4 | 200 | 0.83 | 0.97 | 37 | empty |
| 5 | 236 | 0.83 | 0.96 | 42 | empty |
Interfaces
14 interfaces between chains.
- E–F · 2825 Ų buried · 37 hydrogen bonds · protein-protein
- G–H · 2773 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 2756 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 2745 Ų buried · 33 hydrogen bonds · protein-protein
- A–D · 1612 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 2ONO · Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally… · the same entry in another collection · chain E against E, TM-score 1.00
- P05091 · AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase, mitochondrial (P05091) · a predicted model of the same protein · chain C 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 P05091
- Elsewhere: RCSB PDB 2ONO · PDBe 2ONO · UniProt P05091
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