Research workbench
Crystal structure of fadr from bacillus subtilis, a transcriptional regulator involved in the regulation of fatty acid degradation
Analyse Crystal structure of fadr from bacillus subtilis, a transcriptional regulator… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WHB
- Type
- protein
- Length
- 376 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid metabolism regulator protein
- UniProt
- P94548
- Ligands
- DCC
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid metabolism regulator protein | protein | 189 | 76% helix, 1% strand | P94548 |
| B | Fatty acid metabolism regulator protein | protein | 187 | 78% helix, 1% strand | P94548 |
Ligands and binding sites
- DCC · Dodecyl-coa · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.79 | 0.90 | 49 | DCC |
| 2 | 122 | 0.53 | 0.82 | 21 | empty |
| 3 | 133 | 0.47 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2212 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 3WHB · Crystal structure of FadR from Bacillus subtilis, a transcriptional regulator involved in… · the same entry in another collection · chain A against A, TM-score 1.00
- P94548 · AlphaFold monomer V2.0 prediction for fatty acid metabolism regulator protein (P94548) · a predicted model of the same protein · chain B 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 P94548
- Elsewhere: RCSB PDB 3WHB · PDBe 3WHB · UniProt P94548
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