Protein profile

PA4661

lipid A 3-O-deacylase

Genome: NC_002516.2

Gene: PA4661 pagL Structure source: Experimental + AlphaFold UniProt Q9HVD1
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Amino acids 173
Annotations 7
Features 15
PDB binders 1
Druggability 0.605

Overview

Basic information about this protein and its source genome.

Accession
PA4661
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4661 pagL
Status
annotated
Amino acids
173
Structure source
Experimental + AlphaFold
EC
3.1.1.77
GO
GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0050528 Catalysis of the reaction: 3-(acyloxy)acyl group of bacterial toxin = 3-hydroxyacyl group of bacterial toxin + a fatty acid. GO:0042803 Binding to an identical protein to form a homodimer. GO:0046493 The chemical reactions and pathways involving lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common. GO:0008653 The chemical reactions and pathways involving lipopolysaccharides, a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. Lipopolysaccharides consist three covalently linked regions, lipid A, core oligosaccharide, and an O side chain. Lipid A is responsible for the toxicity of the lipopolysaccharide.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Unknown

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.605
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0050528 Catalysis of the reaction: 3-(acyloxy)acyl group of bacterial toxin = 3-hydroxyacyl group of bacterial toxin + a fatty acid.
  • GO:0042803 Binding to an identical protein to form a homodimer.
  • GO:0046493 The chemical reactions and pathways involving lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common.
  • GO:0008653 The chemical reactions and pathways involving lipopolysaccharides, a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. Lipopolysaccharides consist three covalently linked regions, lipid A, core oligosaccharide, and an O side chain. Lipid A is responsible for the toxicity of the lipopolysaccharide.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
1 173 PIRSF PIRSF029681 PagL
1 173 InterPro IPR018550 Lipid A 3-O-deacylase-related
24 173 Gene3D G3DSA:2.40.160.20 -
33 148 SUPERFAMILY SSF56925 OMPA-like
33 148 InterPro IPR011250 Outer membrane protein/outer membrane enzyme PagP, beta-barrel
1 23 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
24 173 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 3 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
37 171 Pfam PF09411 Lipid A 3-O-deacylase (PagL)
37 171 InterPro IPR018550 Lipid A 3-O-deacylase-related
1 23 SignalP_EUK SignalP-noTM SignalP-noTM
1 23 Phobius SIGNAL_PEPTIDE Signal peptide region
24 173 FunFam G3DSA:2.40.160.20:FF:000016 Lipid A deacylase
16 23 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
4 15 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

1 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 2ERV
X-ray 2.00 Å A,B
86.7% 24-173
PDBe RCSB PDBj File
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AlphaFold PA4661
AlphaFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET Sticks Spheres Surfaces Druggability Labels Zoom Positions
2 0.605

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 10.34 0.555
2 0.98 0.005
3 0.77 0.002

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

51 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
CXE
2ERV 2.00 Å Open crystal
378.6 Da LogP 3.20 TPSA 66.4 ✓ Ro5 ✓ Clean CCCCCCCCCCOCCOCCOCCOCCOCCO

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.