MolNFT v1 · #96844 · protein

Crystal structure of pqsr co-inducer binding domain of pseudomonas aeruginosa with inhibitor 3NH2-7CL-C9QZN

4JVI · Transcriptional regulator mvfr: “Crystal structure of pqsr co-inducer binding domain of pseudomonas aeruginosa with inhibitor 3NH2-7CL-C9QZN”. X-ray diffraction, 1 ligand (QZN), 1 pocket (best druggability 0.67). MolNFT v1 #96844 on…

PDB: 4JVI
Type: protein
Length: 203 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator mvfr
UniProt: Q02IG8
Ligands: QZN
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator mvfr	protein	203	33% helix, 25% strand	Q02IG8

Ligands and binding sites

QZN · 3-amino-7-chloro-2-nonylquinazolin-4(3H)-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	263	0.67	0.83	39	QZN

Compared structures

4JVI · Crystal structure of PqsR co-inducer binding domain of Pseudomonas aeruginosa with… · the same entry in another collection · chain A against A, TM-score 1.00

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 Q02IG8
Elsewhere: RCSB PDB 4JVI · PDBe 4JVI · UniProt Q02IG8

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