Research workbench
Pseudomonas aeruginosa virulence factor regulator with camp ligand and auranofin gold analogues
Analyse Pseudomonas aeruginosa virulence factor regulator with camp ligand and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7FEW
- Type
- protein
- Length
- 407 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-activated global transcriptional regulator vfr
- UniProt
- P55222
- Ligands
- CMP, SO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-activated global transcriptional regulator vfr | protein | 205 | 39% helix, 30% strand | P55222 |
| B | Camp-activated global transcriptional regulator vfr | protein | 202 | 36% helix, 31% strand | P55222 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 521 | 0.76 | 0.84 | 72 | CMP |
| 2 | 302 | 0.70 | 0.84 | 45 | CMP |
| 3 | 61 | 0.52 | 0.86 | 15 | empty |
| 4 | 96 | 0.40 | 0.77 | 19 | empty |
| 5 | 64 | 0.29 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1918 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 7FEW · Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold… · the same entry in another collection · chain A against A, TM-score 1.00
- P55222 · AlphaFold monomer V2.0 prediction for camp-activated global transcriptional regulator vfr… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P55222
- Elsewhere: RCSB PDB 7FEW · PDBe 7FEW · UniProt P55222
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