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Crystal structure of pqsr (mvfr) ligand-binding domain in complex with hhq

Analyse Crystal structure of pqsr (mvfr) ligand-binding domain in complex with hhq in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6Q7U
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: HLH
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator mvfr	protein	204	36% helix, 25% strand	Q9I4X0

Ligands and binding sites

HLH · 2-heptyl-1~{H}-quinolin-4-one · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	252	0.68	0.84	39	HLH

Compared structures

6Q7U · Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ · 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 0.86

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 6Q7U · PDBe 6Q7U · UniProt Q9I4X0

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