Protein profile

PA0795

methylcitrate synthase

Genome: NC_002516.2

Gene: PA0795 prpC Structure source: Experimental + AlphaFold UniProt Q9I5E3
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Amino acids 375
Annotations 7
Features 30
PDB binders 3
Druggability 0.444

Overview

Basic information about this protein and its source genome.

Accession
PA0795
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0795 prpC
Status
annotated
Amino acids
375
Structure source
Experimental + AlphaFold
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0050440 Catalysis of the reaction: H2O + oxaloacetate + propanoyl-CoA = (2R,3S)-2-methylcitrate + CoA + H+. GO:0036440 Catalysis of the reaction: acetyl-CoA + H2O + oxaloacetate = citrate + CoA. GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0019679 OBSOLETE. The chemical reactions and pathways involving propionate that occur in the methylcitrate 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
hit
Human identity (%)
23.56
Human E-value
4.89e-17
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 0.444
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0050440 Catalysis of the reaction: H2O + oxaloacetate + propanoyl-CoA = (2R,3S)-2-methylcitrate + CoA + H+.
  • GO:0036440 Catalysis of the reaction: acetyl-CoA + H2O + oxaloacetate = citrate + CoA.
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0019679 OBSOLETE. The chemical reactions and pathways involving propionate that occur in the methylcitrate 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:0046912 Catalysis of the transfer of an acyl group from one compound (donor) to another (acceptor), with the acyl group being converted into alkyl on transfer.

Sequence Features

Domain/signature hits from InterPro and related databases.

30 records
Show feature table
Start End DB Term Name
10 374 PANTHER PTHR11739 CITRATE SYNTHASE
10 374 InterPro IPR002020 Citrate synthase
258 270 ProSitePatterns PS00480 Citrate synthase signature.
258 270 InterPro IPR019810 Citrate synthase active site
11 375 NCBIfam TIGR01800 2-methylcitrate synthase/citrate synthase II
11 375 InterPro IPR011278 2-methylcitrate synthase/citrate synthase type I
3 375 PIRSF PIRSF001369 Citrate_synth
3 375 InterPro IPR024176 Citrate synthase, bacterial-type
10 372 CDD cd06108 Ec2MCS_like
11 357 Pfam PF00285 Citrate synthase, C-terminal domain
11 357 InterPro IPR002020 Citrate synthase
328 342 PRINTS PR00143 Citrate synthase signature
328 342 InterPro IPR002020 Citrate synthase
198 226 PRINTS PR00143 Citrate synthase signature
198 226 InterPro IPR002020 Citrate synthase
251 271 PRINTS PR00143 Citrate synthase signature
251 271 InterPro IPR002020 Citrate synthase
176 191 PRINTS PR00143 Citrate synthase signature
176 191 InterPro IPR002020 Citrate synthase
308 324 PRINTS PR00143 Citrate synthase signature
308 324 InterPro IPR002020 Citrate synthase
126 139 PRINTS PR00143 Citrate synthase signature
126 139 InterPro IPR002020 Citrate synthase
22 347 Gene3D G3DSA:1.10.580.10 Citrate Synthase, domain 1
22 347 InterPro IPR016142 Citrate synthase-like, large alpha subdomain
224 322 FunFam G3DSA:1.10.230.10:FF:000003 Citrate synthase
224 325 Gene3D G3DSA:1.10.230.10 -
224 325 InterPro IPR016143 Citrate synthase-like, small alpha subdomain
10 375 SUPERFAMILY SSF48256 Citrate synthase
10 375 InterPro IPR036969 Citrate synthase superfamily

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

2 + 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 6S6F
X-ray 1.53 Å A,B
100.0% 1-375
PDBe RCSB PDBj File
Viewing
PDB 6S87
X-ray 1.65 Å A,B,C,D
100.0% 1-375
PDBe RCSB PDBj File
Loaded
AlphaFold PA0795
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 0.444

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 24.78 0.901
2 3.06 0.102
3 2.71 0.081
4 1.35 0.016

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.

25 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
OAA
6S87 1.65 Å Open crystal
131.1 Da LogP -2.22 TPSA 94.5 ✓ Ro5 ✓ Clean C(C(=O)C(=O)O)C(=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.