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PqsR (MvfR) in complex with antagonist 12

Analyse PqsR (MvfR) in complex with antagonist 12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6Z07
Type: protein
Length: 203 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.95
Source: Pseudomonas aeruginosa (strain UCBPP-PA14)
Molecule: Transcriptional regulator MvfR
UniProt: A0A0H2Z7A6
Ligands: Q4E
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · resolution 2.95 · 1 distinct chain · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
AAA	Transcriptional regulator MvfR	protein	203	33% helix, 27% strand	A0A0H2Z7A6

Ligands and binding sites

Q4E · 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one · ligand · chains AAA
GOL · Glycerol · additive · chains AAA

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	242	0.66	0.83	41	Q4E

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 A0A0H2Z7A6
Elsewhere: RCSB PDB 6Z07 · PDBe 6Z07 · UniProt A0A0H2Z7A6

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