Research workbench
Crystal structure of S-nitrosoglutathione reductase from arabidopsis thaliana, C370A/C373A double mutant
Analyse Crystal structure of S-nitrosoglutathione reductase from arabidopsis thaliana… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4L0Q
- Type
- protein
- Length
- 756 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase class-3
- EC
- 1.1.1.-
- UniProt
- Q96533
- Ligands
- NAD, ZN, PO4, SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase class-3 (EC 1.1.1.-) | protein | 378 | 30% helix, 25% strand | Q96533 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.79 | 0.80 | 86 | NAD |
| 2 | 911 | 0.75 | 0.79 | 91 | NAD, SO4 |
| 3 | 489 | 0.64 | 0.77 | 56 | PO4 |
| 4 | 52 | 0.27 | 0.74 | 13 | empty |
| 5 | 55 | 0.24 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1526 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4L0Q · Crystal structure of S-nitrosoglutathione reductase from Arabidopsis thaliana… · the same entry in another collection · chain A against A, TM-score 1.00
- Q96533 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase class-3 (Q96533) · 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 Q96533
- Elsewhere: RCSB PDB 4L0Q · PDBe 4L0Q · UniProt Q96533
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