Protein profile

PA4031

inorganic pyrophosphatase

Genome: NC_002516.2

Gene: PA4031 ppa Structure source: Experimental + AlphaFold UniProt Q9HWZ6
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Amino acids 175
Annotations 7
Features 14
PDB binders 6
Druggability 0.653

Overview

Basic information about this protein and its source genome.

Accession
PA4031
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4031 ppa
Status
annotated
Amino acids
175
Structure source
Experimental + AlphaFold
EC
3.6.1.1
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:0005615 OBSOLETE. That part of a multicellular organism outside the cells proper, usually taken to be outside the plasma membranes, and occupied by fluid. GO:0004427 Catalysis of the reaction: diphosphate + H2O = H+ + 2 phosphate. GO:0000287 Binding to a magnesium (Mg) ion. GO:0006796 The chemical reactions and pathways involving the phosphate group, the anion or salt of any phosphoric acid. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
32.381
Human E-value
1.5e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
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 0.653
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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0005615 OBSOLETE. That part of a multicellular organism outside the cells proper, usually taken to be outside the plasma membranes, and occupied by fluid.
  • GO:0004427 Catalysis of the reaction: diphosphate + H2O = H+ + 2 phosphate.
  • GO:0000287 Binding to a magnesium (Mg) ion.
  • GO:0006796 The chemical reactions and pathways involving the phosphate group, the anion or salt of any phosphoric acid.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
66 72 ProSitePatterns PS00387 Inorganic pyrophosphatase signature.
5 173 PANTHER PTHR10286 INORGANIC PYROPHOSPHATASE
5 173 InterPro IPR008162 Inorganic pyrophosphatase
1 175 Gene3D G3DSA:3.90.80.10 Inorganic pyrophosphatase
1 175 InterPro IPR036649 Inorganic pyrophosphatase superfamily
14 170 CDD cd00412 pyrophosphatase
14 170 InterPro IPR008162 Inorganic pyrophosphatase
18 173 Pfam PF00719 Inorganic pyrophosphatase
18 173 InterPro IPR008162 Inorganic pyrophosphatase
14 174 Hamap MF_00209 Inorganic pyrophosphatase [ppa].
14 174 InterPro IPR008162 Inorganic pyrophosphatase
3 174 SUPERFAMILY SSF50324 Inorganic pyrophosphatase
3 174 InterPro IPR036649 Inorganic pyrophosphatase superfamily
1 175 FunFam G3DSA:3.90.80.10:FF:000001 Inorganic pyrophosphatase

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 4XEL
X-ray 2.00 Å A,B
100.0% 1-175
PDBe RCSB PDBj File
Viewing
AlphaFold PA4031
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
4 0.653
1 0.575

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 16.78 0.787
2 2.0 0.043
3 1.99 0.042

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
12P
4XEL 2.00 Å Open crystal
546.7 Da LogP -0.85 TPSA 142.0 2 viol. ✓ Clean C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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.