MolNFT v1 · #65785 · protein

Crystal structure of pqsd, a key enzyme in pseudomonas aeruginosa quinolone signal biosynthesis pathway

3H76 · Pqs biosynthetic enzyme: “Crystal structure of pqsd, a key enzyme in pseudomonas aeruginosa quinolone signal biosynthesis pathway”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #65785 on GenesisL1: 3D structure…

PDB: 3H76
Type: protein
Length: 658 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pqs biosynthetic enzyme
EC: 2.3.1.180
UniProt: P20582
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pqs biosynthetic enzyme (EC 2.3.1.180)	protein	329	40% helix, 25% strand	P20582

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	199	0.76	0.91	49	empty
2	169	0.71	0.89	38	empty
3	233	0.51	0.76	39	empty
4	78	0.35	0.76	16	empty
5	74	0.35	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 2836 Å² buried · 56 hydrogen bonds · protein-protein

Compared structures

3H76 · Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal… · the same entry in another collection · chain A against A, TM-score 1.00
P20582 · AlphaFold monomer V2.0 prediction for anthraniloyl-CoA anthraniloyltransferase (P20582) · a predicted model of the same protein · 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 P20582
Elsewhere: RCSB PDB 3H76 · PDBe 3H76 · UniProt P20582

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