MolNFT v1 · #174443 · protein
Crystal structure of pennisetum glaucum monodehydroascorbate reductase
7BVI: “Crystal structure of pennisetum glaucum monodehydroascorbate reductase”. X-ray diffraction, 1 ligand (FAD), 20 pockets (best druggability 0.86). MolNFT v1 #174443 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BVI
- Type
- protein
- Length
- 1,728 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pennisetum glaucum monodehydroascorbate reductase
- EC
- 1.6.5.4
- Ligands
- FAD
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pennisetum glaucum monodehydroascorbate reductase (EC 1.6.5.4) | protein | 431 | 29% helix, 32% strand | — |
| C | Pennisetum glaucum monodehydroascorbate reductase (EC 1.6.5.4) | protein | 434 | 29% helix, 29% strand | — |
| D | Pennisetum glaucum monodehydroascorbate reductase (EC 1.6.5.4) | protein | 432 | 29% helix, 31% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- ACT · Acetate ion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.86 | 0.87 | 122 | FAD |
| 2 | 927 | 0.83 | 0.85 | 106 | FAD |
| 3 | 770 | 0.80 | 0.84 | 85 | FAD |
| 4 | 885 | 0.80 | 0.82 | 90 | FAD |
| 5 | 204 | 0.75 | 0.90 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1247 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 563 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 378 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7BVI · Crystal structure of Pennisetum glaucum monodehydroascorbate reductase · 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 7BVI · PDBe 7BVI
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.