MolNFT v1 · #86048 · protein
Crystal structure of the tuberculosis drug target decaprenyl-phosphoryl-beta-D-ribofuranose-2-oxidoreductase (DPRE1) from mycobacterium smegmatis
4AUT · Decaprenyl-phosphoryl-beta-D-ribofuranose-2- oxidoreductase: “Crystal structure of the tuberculosis drug target decaprenyl-phosphoryl-beta-D-ribofuranose-2-oxidoreductase…”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best…
- PDB
- 4AUT
- Type
- protein
- Length
- 419 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Decaprenyl-phosphoryl-beta-D-ribofuranose-2- oxidoreductase
- UniProt
- A0R607
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Decaprenyl-phosphoryl-beta-D-ribofuranose-2- oxidoreductase | protein | 419 | 31% helix, 26% strand | A0R607 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.86 | 0.95 | 59 | FAD |
| 2 | 106 | 0.37 | 0.75 | 27 | empty |
| 3 | 72 | 0.33 | 0.75 | 16 | empty |
Compared structures
- 4AUT · Crystal structure of the tuberculosis drug target Decaprenyl… · the same entry in another collection · chain A against A, TM-score 1.00
- A0R607 · AlphaFold monomer V2.0 prediction for decaprenylphosphoryl-beta-D- ribose oxidase (A0R607) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 A0R607
- Elsewhere: RCSB PDB 4AUT · PDBe 4AUT · UniProt A0R607
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