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Structural analysis of fatty acid degradation regulator fadr from bacillus halodurans
Analyse Structural analysis of fatty acid degradation regulator fadr from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GP9
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator (TETR/ACRR family)
- UniProt
- Q9K8A4
- Ligands
- PLM, MG
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator (TETR/ACRR family) | protein | 193 | 77% helix, 1% strand | Q9K8A4 |
| B | Transcriptional regulator (TETR/ACRR family) | protein | 187 | 78% helix, 1% strand | Q9K8A4 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 794 | 0.84 | 0.87 | 87 | MG, PLM |
| 2 | 72 | 0.35 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1920 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5GP9 · Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans · 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 Q9K8A4
- Elsewhere: RCSB PDB 5GP9 · PDBe 5GP9 · UniProt Q9K8A4
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