Protein profile

PA0355

protease PfpI

Genome: NC_002516.2

Gene: PA0355 pfpI Structure source: Experimental + AlphaFold UniProt Q9I6D8
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Amino acids 179
Annotations 9
Features 14
PDB binders 16
Druggability 0.393

Overview

Basic information about this protein and its source genome.

Accession
PA0355
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0355 pfpI
Status
annotated
Amino acids
179
Structure source
Experimental + AlphaFold
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0019172 Catalysis of the reaction: methylglyoxal + H2O = D-lactate. GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid. 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:0071236 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms. GO:0106044 The removal of a sugar or dicarbonyl from a glycated guanine.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
28.571
Human E-value
5.3e-11
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Cytoplasmic

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 0.393
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 GO

Gene Ontology (GO)

9
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0019172 Catalysis of the reaction: methylglyoxal + H2O = D-lactate.
  • GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
  • 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:0071236 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.
  • GO:0106044 The removal of a sugar or dicarbonyl from a glycated guanine.
  • GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
  • 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:0044011 A process in which microorganisms of the same species attach to and grow on an inanimate surface such as a rock or pipe, and produce extracellular polymers that facilitate attachment and matrix formation, resulting in an alteration in the phenotype of the organisms with respect to growth rate and gene transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
10 175 CDD cd03134 GATase1_PfpI_like
10 175 Pfam PF01965 DJ-1/PfpI family
10 175 InterPro IPR002818 DJ-1/PfpI
1 179 Gene3D G3DSA:3.40.50.880 -
1 179 InterPro IPR029062 Class I glutamine amidotransferase-like
8 178 ProSiteProfiles PS51276 PfpI endopeptidase domain profile.
8 178 InterPro IPR006286 Deglycase PfpI-like
1 179 FunFam G3DSA:3.40.50.880:FF:000090 Glutamine amidotransferase
8 178 SUPERFAMILY SSF52317 Class I glutamine amidotransferase-like
8 178 InterPro IPR029062 Class I glutamine amidotransferase-like
7 177 PANTHER PTHR42733 DJ-1 PROTEIN
7 177 InterPro IPR006286 Deglycase PfpI-like
10 177 NCBIfam TIGR01382 DJ-1/PfpI/YhbO family deglycase/protease
10 177 InterPro IPR006286 Deglycase PfpI-like

3D Structure

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

3D visualization script Full viewer

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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 8R3N
X-ray 1.45 Å B,X
100.0% 1-179
PDBe RCSB PDBj File
Viewing
AlphaFold PA0355
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 0.393
3 0.216

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 10.43 0.561

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.

104 records

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
2HA
6F2F
O59413 90.1 Da LogP -1.46 TPSA 57.5 ✓ Ro5 ✓ Clean C(C(=O)CO)O
72R
6AFC
Q99497 165.1 Da LogP 0.96 TPSA 46.2 ✓ Ro5 ✓ Clean c1cc2c(cc1F)C(=O)C(=O)N2
72S
6AFD
Q99497 161.2 Da LogP 1.13 TPSA 46.2 ✓ Ro5 ✓ Clean Cc1cccc2c1NC(=O)C2=O
72T
6AFE
Q99497 215.1 Da LogP 1.84 TPSA 46.2 ✓ Ro5 ✓ Clean c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O
72U
6AFF
Q99497 205.2 Da LogP 0.61 TPSA 72.5 ✓ Ro5 ✓ Clean COC(=O)c1cccc2c1NC(=O)C2=O
72V
6AFG
Q99497 161.2 Da LogP 0.85 TPSA 37.4 ✓ Ro5 ✓ Clean CN1c2ccccc2C(=O)C1=O
73D
6AFI
Q99497 175.2 Da LogP 1.24 TPSA 37.4 ✓ Ro5 ✓ Clean CCN1c2ccccc2C(=O)C1=O
73G
6AFJ
Q99497 261.3 Da LogP 1.56 TPSA 63.7 ✓ Ro5 ✓ Clean CCCCOC(=O)CN1c2ccccc2C(=O)C1=O
7MT
6F2F
O59413 556.4 Da LogP -2.25 TPSA 64.8 1 viol. ✓ Clean c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)…
DTT
5SY6
Q99497 154.3 Da LogP -0.43 TPSA 40.5 ✓ Ro5 ✓ Clean C([C@@H]([C@H](CS)O)O)S
ISN
6AF5
Q99497 147.1 Da LogP 0.82 TPSA 46.2 ✓ Ro5 ✓ Clean c1ccc2c(c1)C(=O)C(=O)N2
MLA
3CZA
Q99497 104.1 Da LogP -0.45 TPSA 74.6 ✓ Ro5 ✓ Clean C(C(=O)O)C(=O)O
MLI
6HF6
O59413 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
P15
4P36
Q99497 296.4 Da LogP -0.29 TPSA 75.6 ✓ Ro5 ✓ Clean COCCOCCOCCOCCOCCOCCO
P4C
3CZ9
Q99497 324.4 Da LogP -0.72 TPSA 92.7 ✓ Ro5 ✓ Clean C(COCCOCCOCCOCCOCCOCC=O)O
TLA
5IP5
Q99497 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@@H]([C@H](C(=O)O)O)(C(=O)O)O

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.