MolNFT v1 · #184853 · protein
Crystal structure of pqsr (mvfr) ligand-binding domain in complex with 3-pyridin-4-yl-2,4-dihydro-INDENO[1,2-.C.]PYRAZOLE
7P4U · Transcriptional regulator mvfr: “Crystal structure of pqsr (mvfr) ligand-binding domain in complex with…”. X-ray diffraction, 1 ligand (5N9), 1 pocket (best druggability 0.67). MolNFT v1 #184853 on GenesisL1: 3D structure, binding…
- PDB
- 7P4U
- Type
- protein
- Length
- 204 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator mvfr
- UniProt
- Q9I4X0
- Ligands
- 5N9
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator mvfr | protein | 204 | 34% helix, 28% strand | Q9I4X0 |
Ligands and binding sites
- 5N9 · ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl) pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.67 | 0.83 | 40 | 5N9 |
Compared structures
- 7P4U · Crystal structure of PqsR (MvfR) ligand-binding domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4X0 · AlphaFold monomer V2.0 prediction for multiple virulence factor regulator mvfr (Q9I4X0) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q9I4X0
- Elsewhere: RCSB PDB 7P4U · PDBe 7P4U · UniProt Q9I4X0
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