Protein profile

PA5320

bifunctional phosphopantothenoylcysteine decarboxylase/phosphopantothenate synthase

Genome: NC_002516.2

Gene: PA5320 coaC coaBC Structure source: AlphaFold UniProt Q9HTN4
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Amino acids 402
Annotations 8
Features 19
PDB binders 3
Druggability 0.387

Overview

Basic information about this protein and its source genome.

Accession
PA5320
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5320 coaC coaBC
Status
annotated
Amino acids
402
Structure source
AlphaFold
GO
GO:0071513 A protein complex that catalyzes decarboxylation of 4'-phosphopantothenoylcysteine to yield 4'-phosphopantetheine; this is the third step in the biosynthesis of Coenzyme A. The complex is homotrimeric in many eukaryotes, but is a heterotrimer in Saccharomyces. GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0046872 Binding to a metal ion. GO:0004632 Catalysis of the reaction: CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + diphosphate + (R)-4'-phosphopantothenoyl-L-cysteine. Cysteine can be replaced by some of its derivatives. GO:0004633 Catalysis of the reaction: N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate + H+ = CO2 + pantetheine 4'-phosphate. GO:0015937 The chemical reactions and pathways resulting in the formation of coenzyme A, 3'-phosphoadenosine-(5')diphospho(4')pantatheine, an acyl carrier in many acylation and acyl-transfer reactions in which the intermediate is a thiol ester.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
31.414
Human E-value
1.84e-20
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 0.387
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • GO:0071513 A protein complex that catalyzes decarboxylation of 4'-phosphopantothenoylcysteine to yield 4'-phosphopantetheine; this is the third step in the biosynthesis of Coenzyme A. The complex is homotrimeric in many eukaryotes, but is a heterotrimer in Saccharomyces.
  • GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0046872 Binding to a metal ion.
  • GO:0004632 Catalysis of the reaction: CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + diphosphate + (R)-4'-phosphopantothenoyl-L-cysteine. Cysteine can be replaced by some of its derivatives.
  • GO:0004633 Catalysis of the reaction: N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate + H+ = CO2 + pantetheine 4'-phosphate.
  • GO:0015937 The chemical reactions and pathways resulting in the formation of coenzyme A, 3'-phosphoadenosine-(5')diphospho(4')pantatheine, an acyl carrier in many acylation and acyl-transfer reactions in which the intermediate is a thiol ester.
  • GO:0015941 The chemical reactions and pathways resulting in the breakdown of pantothenate, the anion of pantothenic acid. It is a B complex vitamin that is a constituent of coenzyme A and is distributed ubiquitously in foods.
  • 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.

19 records
Show feature table
Start End DB Term Name
1 185 Gene3D G3DSA:3.40.50.1950 -
1 185 InterPro IPR036551 Flavin prenyltransferase-like
185 402 FunFam G3DSA:3.40.50.10300:FF:000001 Coenzyme A biosynthesis bifunctional protein CoaBC
6 395 NCBIfam TIGR00521 bifunctional phosphopantothenoylcysteine decarboxylase/phosphopantothenate--cysteine ligase CoaBC
6 395 InterPro IPR005252 Coenzyme A biosynthesis bifunctional protein CoaBC
186 402 Gene3D G3DSA:3.40.50.10300 -
186 402 InterPro IPR035929 CoaB-like superfamily
1 185 FunFam G3DSA:3.40.50.1950:FF:000002 Coenzyme A biosynthesis bifunctional protein CoaBC
186 370 Pfam PF04127 DNA / pantothenate metabolism flavoprotein
186 370 InterPro IPR007085 DNA/pantothenate metabolism flavoprotein, C-terminal
184 400 SUPERFAMILY SSF102645 CoaB-like
184 400 InterPro IPR035929 CoaB-like superfamily
7 179 Pfam PF02441 Flavoprotein
7 179 InterPro IPR003382 Flavoprotein
1 179 SUPERFAMILY SSF52507 Homo-oligomeric flavin-containing Cys decarboxylases, HFCD
1 179 InterPro IPR036551 Flavin prenyltransferase-like
7 398 Hamap MF_02225 Coenzyme A biosynthesis bifunctional protein CoaBC [coaBC].
7 398 InterPro IPR005252 Coenzyme A biosynthesis bifunctional protein CoaBC
6 248 PANTHER PTHR14359 HOMO-OLIGOMERIC FLAVIN CONTAINING CYS DECARBOXYLASE FAMILY

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 PA5320
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
2 0.387

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.

53 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
N9N
6THC
A0QWT2 246.2 Da LogP 1.74 TPSA 98.0 ✓ Ro5 Alert c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O
PCO
1MVN
Q9SWE5 276.4 Da LogP -0.61 TPSA 98.7 ✓ Ro5 ✓ Clean CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O
PMT
1U7Z
P0ABQ0 604.4 Da LogP -2.89 TPSA 299.5 3 viol. ✓ Clean CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=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.