Protein profile

PA3687

phosphoenolpyruvate carboxylase

Genome: NC_002516.2

Gene: PA3687 ppc Structure source: AlphaFold UniProt Q9HXV3
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Amino acids 878
Annotations 8
Features 28
PDB binders 4
Druggability 0.396

Overview

Basic information about this protein and its source genome.

Accession
PA3687
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3687 ppc
Status
annotated
Amino acids
878
Structure source
AlphaFold
EC
4.1.1.31
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:0000287 Binding to a magnesium (Mg) ion. GO:0008964 Catalysis of the reaction: phosphate + oxaloacetate = phosphoenolpyruvate + HCO3-. GO:0015977 A metabolic process in which carbon (usually derived from carbon dioxide) is incorporated into organic compounds (usually carbohydrates). GO:0006107 The chemical reactions and pathways involving oxaloacetate, the anion of oxobutanedioic acid, an important intermediate in metabolism, especially as a component of the TCA cycle. GO:0006099 A nearly universal metabolic pathway in which the acetyl group of acetyl coenzyme A is effectively oxidized to two CO2 and four pairs of electrons are transferred to coenzymes. The acetyl group combines with oxaloacetate to form citrate, which undergoes successive transformations to isocitrate, 2-oxoglutarate, succinyl-CoA, succinate, fumarate, malate, and oxaloacetate again, thus completing the cycle. In eukaryotes the tricarboxylic acid is confined to the mitochondria. See also glyoxylate cycle.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
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 0.396
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

7
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0000287 Binding to a magnesium (Mg) ion.
  • GO:0008964 Catalysis of the reaction: phosphate + oxaloacetate = phosphoenolpyruvate + HCO3-.
  • GO:0015977 A metabolic process in which carbon (usually derived from carbon dioxide) is incorporated into organic compounds (usually carbohydrates).
  • GO:0006107 The chemical reactions and pathways involving oxaloacetate, the anion of oxobutanedioic acid, an important intermediate in metabolism, especially as a component of the TCA cycle.
  • GO:0006099 A nearly universal metabolic pathway in which the acetyl group of acetyl coenzyme A is effectively oxidized to two CO2 and four pairs of electrons are transferred to coenzymes. The acetyl group combines with oxaloacetate to form citrate, which undergoes successive transformations to isocitrate, 2-oxoglutarate, succinyl-CoA, succinate, fumarate, malate, and oxaloacetate again, thus completing the cycle. In eukaryotes the tricarboxylic acid is confined to the mitochondria. See also glyoxylate cycle.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

28 records
Show feature table
Start End DB Term Name
762 782 Coils Coil Coil
188 204 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
188 204 InterPro IPR021135 Phosphoenolpyruvate carboxylase
135 148 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
135 148 InterPro IPR021135 Phosphoenolpyruvate carboxylase
247 262 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
247 262 InterPro IPR021135 Phosphoenolpyruvate carboxylase
385 405 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
385 405 InterPro IPR021135 Phosphoenolpyruvate carboxylase
707 733 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
707 733 InterPro IPR021135 Phosphoenolpyruvate carboxylase
534 554 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
534 554 InterPro IPR021135 Phosphoenolpyruvate carboxylase
576 605 PRINTS PR00150 Phosphoenolpyruvate carboxylase signature
576 605 InterPro IPR021135 Phosphoenolpyruvate carboxylase
5 878 SUPERFAMILY SSF51621 Phosphoenolpyruvate/pyruvate domain
5 878 InterPro IPR015813 Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
536 548 ProSitePatterns PS00393 Phosphoenolpyruvate carboxylase active site 2.
536 548 InterPro IPR033129 Phosphoenolpyruvate carboxylase, His active site
275 387 Gene3D G3DSA:1.20.1440.90 Phosphoenolpyruvate/pyruvate domain
1 878 Hamap MF_00595 Phosphoenolpyruvate carboxylase [ppc].
1 878 InterPro IPR022805 Phosphoenolpyruvate carboxylase, bacterial/plant-type
136 147 ProSitePatterns PS00781 Phosphoenolpyruvate carboxylase active site 1.
136 147 InterPro IPR018129 Phosphoenolpyruvate carboxylase, Lys active site
5 878 PANTHER PTHR30523 PHOSPHOENOLPYRUVATE CARBOXYLASE
5 878 InterPro IPR021135 Phosphoenolpyruvate carboxylase
8 878 Pfam PF00311 Phosphoenolpyruvate carboxylase
8 878 InterPro IPR021135 Phosphoenolpyruvate carboxylase

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

0 + 1

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA3687
AlphaFold — — full sequence — Viewing
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
3 0.396

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.

54 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
DCO
1JQN
P00864 235.0 Da LogP 0.94 TPSA 94.8 ✓ Ro5 ✓ Clean C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O
FLC
6V3O
P04711 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
MLT
6U2T
P04711 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=O)O
PG0
6V3O
P04711 120.1 Da LogP -0.36 TPSA 38.7 ✓ Ro5 ✓ Clean COCCOCCO

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.