Protein profile

PA5112

esterase

Genome: NC_002516.2

Gene: estA PA5112 papA Structure source: Experimental + AlphaFold UniProt O33407
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Amino acids 646
Annotations 13
Features 30
PDB binders 6
Druggability 0.911

Overview

Basic information about this protein and its source genome.

Accession
PA5112
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
estA PA5112 papA
Status
annotated
Amino acids
646
Structure source
Experimental + AlphaFold
EC
3.1.1.1
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:0106435 Catalysis of the reaction: a carboxylic ester + H2O = a carboxylate + an alcohol + H+. GO:0052689 Catalysis of the hydrolysis of a carboxylic ester bond. GO:0016298 Catalysis of the hydrolysis of a lipid. GO:0071973 Cell motility due to the motion of one or more bacterial-type flagella. A bacterial-type flagellum is a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope. GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria.

Target profile

Computed evidence for target prioritization.

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

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 0.911
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 12 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

12
  • 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:0106435 Catalysis of the reaction: a carboxylic ester + H2O = a carboxylate + an alcohol + H+.
  • GO:0052689 Catalysis of the hydrolysis of a carboxylic ester bond.
  • GO:0016298 Catalysis of the hydrolysis of a lipid.
  • GO:0071973 Cell motility due to the motion of one or more bacterial-type flagella. A bacterial-type flagellum is a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope.
  • GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria.
  • GO:0048870 Any process involved in the controlled self-propelled movement of a cell that results in translocation of the cell from one place to another.
  • GO:0009247 The chemical reactions and pathways resulting in the formation of glycolipid, a class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide).
  • GO:0008610 The chemical reactions and pathways resulting in the formation of lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent.
  • GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.
  • GO:0006629 The chemical reactions and pathways involving lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. Includes fatty acids; neutral fats, other fatty-acid esters, and soaps; long-chain (fatty) alcohols and waxes; sphingoids and other long-chain bases; glycolipids, phospholipids and sphingolipids; and carotenes, polyprenols, sterols, terpenes and other isoprenoids.
  • GO:0016788 Catalysis of the hydrolysis of any ester bond.

Sequence Features

Domain/signature hits from InterPro and related databases.

30 records
Show feature table
Start End DB Term Name
1 24 SignalP_EUK SignalP-noTM SignalP-noTM
30 330 SUPERFAMILY SSF52266 SGNH hydrolase
19 338 Gene3D G3DSA:3.40.50.1110 SGNH hydrolase
19 338 InterPro IPR036514 SGNH hydrolase superfamily
20 24 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
339 646 Gene3D G3DSA:2.40.128.130 -
339 646 InterPro IPR036709 Autotransporter beta-domain superfamily
9 19 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 24 Phobius SIGNAL_PEPTIDE Signal peptide region
29 325 PANTHER PTHR45642 GDSL ESTERASE/LIPASE EXL3
32 325 Pfam PF00657 GDSL-like Lipase/Acylhydrolase
32 325 InterPro IPR001087 GDSL lipase/esterase
1 8 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
339 646 FunFam G3DSA:2.40.128.130:FF:000004 Autotransporter domain-containing esterase
370 636 SMART SM00869 Autotransporter_2
370 636 InterPro IPR005546 Autotransporter beta-domain
32 43 ProSitePatterns PS01098 Lipolytic enzymes "G-D-S-L" family, serine active site.
32 43 InterPro IPR008265 Lipase, GDSL, active site
349 646 SUPERFAMILY SSF103515 Autotransporter
349 646 InterPro IPR036709 Autotransporter beta-domain superfamily
2 646 PIRSF PIRSF037375 EstA
2 646 InterPro IPR017186 Lipase, autotransporter EstA
366 646 ProSiteProfiles PS51208 Autotransporter beta-domain profile.
366 646 InterPro IPR005546 Autotransporter beta-domain
374 626 Pfam PF03797 Autotransporter beta-domain
374 626 InterPro IPR005546 Autotransporter beta-domain
19 338 FunFam G3DSA:3.40.50.1110:FF:000027 Esterase EstA
29 330 CDD cd01847 Triacylglycerol_lipase_like
25 646 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 24 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM

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 3KVN
X-ray 2.50 Å A,X
96.3% 25-646
PDBe RCSB PDBj File
Viewing
AlphaFold PA5112
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
1 0.911

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 28.92 0.928
2 6.63 0.336
3 6.04 0.298
4 5.23 0.244
5 3.67 0.139

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.

56 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
C8E
3KVN 2.50 Å Open crystal
306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO

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.