MolNFT v1 · #123195 · protein
Structure and catalytic mechanism of monodehydroascorbate reductase, mdhar, from oryza sativa L. japonica
5JCN · OS09G0567300 protein: “Structure and catalytic mechanism of monodehydroascorbate reductase, mdhar, from oryza sativa L. japonica”. X-ray diffraction, 3 ligands (FAD, NAD, ASC), 6 pockets (best druggability 0.82). MolNFT v1 #123195…
- PDB
- 5JCN
- Type
- protein
- Length
- 854 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OS09G0567300 protein
- UniProt
- Q652L6
- Ligands
- FAD, NAD, ASC
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | OS09G0567300 protein | protein | 429 | 28% helix, 31% strand | Q652L6 |
| B | OS09G0567300 protein | protein | 425 | 26% helix, 30% strand | Q652L6 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ASC · Ascorbic acid · 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 | 874 | 0.82 | 0.84 | 91 | FAD, NAD |
| 2 | 900 | 0.81 | 0.83 | 88 | FAD, NAD |
| 3 | 427 | 0.71 | 0.82 | 59 | empty |
| 4 | 424 | 0.58 | 0.75 | 47 | empty |
| 5 | 54 | 0.42 | 0.82 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 671 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5JCN · Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza… · the same entry in another collection · chain A against A, TM-score 1.00
- Q652L6 · AlphaFold monomer V2.0 prediction for monodehydroascorbate reductase 3, cytosolic (Q652L6) · a predicted model of the same protein · chain B 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 Q652L6
- Elsewhere: RCSB PDB 5JCN · PDBe 5JCN · UniProt Q652L6
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