MolNFT v1 · #178411 · protein
Pseudomonas aeruginosa virulence factor regulator with camp ligand and CL(TRIETHYLPHOSPHINE)GOLD(I)
7FF8 · Camp-activated global transcriptional regulator vfr: “Pseudomonas aeruginosa virulence factor regulator with camp ligand and CL(TRIETHYLPHOSPHINE)GOLD(I)”. X-ray diffraction, 5 ligands (CMP, AUF, AU), 5 pockets (best druggability…
- PDB
- 7FF8
- Type
- protein
- Length
- 385 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, AUF, AU, SO4, CL
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-activated global transcriptional regulator vfr | protein | 197 | 39% helix, 27% strand | P55222 |
| B | Camp-activated global transcriptional regulator vfr | protein | 188 | 35% helix, 30% strand | P55222 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
- AUF · triethylphosphanuidylgold(1+) · ligand · 2 copies · chains A, B
- AU · Gold ion · metal · 5 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.80 | 0.87 | 61 | CMP |
| 2 | 469 | 0.74 | 0.83 | 65 | CMP |
| 3 | 111 | 0.47 | 0.79 | 13 | empty |
| 4 | 73 | 0.41 | 0.80 | 13 | empty |
| 5 | 122 | 0.41 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1730 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7FF8 · Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and… · 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 7FF8 · PDBe 7FF8 · UniProt P55222
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