Protein profile

PA4872

hypothetical protein

Genome: NC_002516.2

Gene: PA4872 Structure source: Experimental + AlphaFold UniProt Q9HUU1
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Amino acids 287
Annotations 8
Features 11
PDB binders 5
Druggability 0.818

Overview

Basic information about this protein and its source genome.

Accession
PA4872
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4872
Status
annotated
Amino acids
287
Structure source
Experimental + AlphaFold
EC
4.1.1.112
GO
GO:0000287 Binding to a magnesium (Mg) ion. GO:0046421 Catalysis of the reaction: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate = pyruvate + succinate. GO:0008948 Catalysis of the reaction: H+ + oxaloacetate = CO2 + pyruvate. 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:0019629 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of propionate that occurs in the 2-methylcitrate cycle. GO:0042866 The chemical reactions and pathways resulting in the formation of pyruvate, 2-oxopropanoate.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
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 0.818
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:0000287 Binding to a magnesium (Mg) ion.
  • GO:0046421 Catalysis of the reaction: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate = pyruvate + succinate.
  • GO:0008948 Catalysis of the reaction: H+ + oxaloacetate = CO2 + pyruvate.
  • 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:0019629 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of propionate that occurs in the 2-methylcitrate cycle.
  • GO:0042866 The chemical reactions and pathways resulting in the formation of pyruvate, 2-oxopropanoate.
  • 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.

11 records
Show feature table
Start End DB Term Name
4 273 PANTHER PTHR42905 PHOSPHOENOLPYRUVATE CARBOXYLASE
2 287 FunFam G3DSA:3.20.20.60:FF:000015 Oxaloacetate decarboxylase
1 287 Gene3D G3DSA:3.20.20.60 -
1 287 InterPro IPR040442 Pyruvate kinase-like domain superfamily
13 251 CDD cd00377 ICL_PEPM
13 251 InterPro IPR039556 ICL/PEPM domain
13 247 Pfam PF13714 Phosphoenolpyruvate phosphomutase
4 287 Hamap MF_01299 Oxaloacetate decarboxylase.
4 287 InterPro IPR023687 Oxaloacetate decarboxylase, bacterial
8 283 SUPERFAMILY SSF51621 Phosphoenolpyruvate/pyruvate domain
8 283 InterPro IPR015813 Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily

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 3B8I
X-ray 1.90 Å A,B,C,D,E,F
100.0% 1-287
PDBe RCSB PDBj File
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AlphaFold PA4872
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 0.818
7 0.389

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 14.33 0.719
2 1.87 0.037
3 1.72 0.03
4 1.49 0.021
5 1.15 0.009

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.

44 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.

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Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
OXL
3B8I 1.90 Å Open crystal
88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=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.