MolNFT v2 · #51034 · protein
The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis (BA3989)
2UVD · 3-oxoacyl-(acyl-carrier-protein) reductase: “The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis (BA3989)”. X-ray diffraction at 2.4, 20 pockets (best druggability 0.85). MolNFT v2 #51034 on…
- PDB
- 2UVD
- Type
- protein
- Length
- 1,968 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.4
- Source
- BACILLUS ANTHRACIS
- Molecule
- 3-oxoacyl-(acyl-carrier-protein) reductase
- EC
- 1.1.1.100
- UniProt
- Q81JG6
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · resolution 2.4 · 1 distinct chain · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | 3-oxoacyl-(acyl-carrier-protein) reductase (EC 1.1.1.100) | protein | 246 | 51% helix, 17% strand | Q81JG6 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 887 | 0.85 | 0.87 | 74 | empty |
| 2 | 766 | 0.84 | 0.87 | 54 | empty |
| 3 | 948 | 0.80 | 0.82 | 126 | empty |
| 4 | 442 | 0.74 | 0.84 | 65 | empty |
| 5 | 226 | 0.70 | 0.86 | 43 | empty |
Interfaces
15 interfaces between chains.
- G–H · 1702 Ų buried · 25 hydrogen bonds · protein-protein
- E–F · 1666 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1657 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1637 Ų buried · 23 hydrogen bonds · protein-protein
- F–G · 1428 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2UVD · The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from bacillus… · 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
- Every structure of UniProt Q81JG6
- Elsewhere: RCSB PDB 2UVD · PDBe 2UVD · UniProt Q81JG6
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