MolNFT v1 · #154953 · protein
Monodehydroascorbate reductase, mdhar, from antarctic hairgrass deschampsia antarctica
6KRT: “Monodehydroascorbate reductase, mdhar, from antarctic hairgrass deschampsia antarctica”. X-ray diffraction, 1 ligand (FAD), 9 pockets (best druggability 0.83). MolNFT v1 #154953 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6KRT
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monodehydroascorbate reductase
- EC
- 1.6.5.4
- Ligands
- FAD
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monodehydroascorbate reductase (EC 1.6.5.4) | protein | 433 | 27% helix, 31% strand | — |
| B | Monodehydroascorbate reductase (EC 1.6.5.4) | protein | 433 | 28% helix, 31% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 844 | 0.83 | 0.85 | 84 | FAD |
| 2 | 755 | 0.82 | 0.85 | 75 | FAD |
| 3 | 401 | 0.69 | 0.81 | 52 | empty |
| 4 | 328 | 0.58 | 0.76 | 46 | empty |
| 5 | 137 | 0.49 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 882 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6KRT · monodehydroascorbate reductase, MDHAR, from Antarctic hairgrass Deschampsia antarctica · 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
- Elsewhere: RCSB PDB 6KRT · PDBe 6KRT
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