Protein profile

PA2552

acyl-CoA dehydrogenase

Genome: NC_002516.2

Gene: PA2552 Structure source: AlphaFold UniProt Q9I0T2
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Amino acids 375
Annotations 5
Features 23
PDB binders 3
Druggability 0.794

Overview

Basic information about this protein and its source genome.

Accession
PA2552
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2552
Status
annotated
Amino acids
375
Structure source
AlphaFold
EC
1.3.8.11 3.13.1.4
GO
GO:0003995 Catalysis of the reaction: a 2,3-saturated acyl-CoA + H+ oxidized [electron-transfer flavoprotein] = a (2E)-enoyl-CoA + reduced [electron-transfer flavoprotein]. GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2. GO:0016627 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
49.584
Human E-value
8.47e-116
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 0.794
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 3 GO

Enzyme Commission (EC)

2

Gene Ontology (GO)

3
  • GO:0003995 Catalysis of the reaction: a 2,3-saturated acyl-CoA + H+ oxidized [electron-transfer flavoprotein] = a (2E)-enoyl-CoA + reduced [electron-transfer flavoprotein].
  • GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2.
  • GO:0016627 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records
Show feature table
Start End DB Term Name
334 353 ProSitePatterns PS00073 Acyl-CoA dehydrogenases signature 2.
334 353 InterPro IPR006089 Acyl-CoA dehydrogenase, conserved site
5 375 PANTHER PTHR43884 ACYL-COA DEHYDROGENASE
3 117 Gene3D G3DSA:1.10.540.10 -
3 117 InterPro IPR037069 Acyl-CoA dehydrogenase/oxidase, N-terminal domain superfamily
120 214 Pfam PF02770 Acyl-CoA dehydrogenase, middle domain
120 214 InterPro IPR006091 Acyl-CoA oxidase/dehydrogenase, middle domain
227 375 Pfam PF00441 Acyl-CoA dehydrogenase, C-terminal domain
227 375 InterPro IPR009075 Acyl-CoA dehydrogenase/oxidase C-terminal
217 375 PIRSF PIRSF016578 PIGM
4 194 PIRSF PIRSF016578 PIGM
232 375 FunFam G3DSA:1.20.140.10:FF:000004 Acyl-CoA dehydrogenase FadE25
232 375 Gene3D G3DSA:1.20.140.10 -
1 118 FunFam G3DSA:1.10.540.10:FF:000002 Acyl-CoA dehydrogenase FadE19
5 115 Pfam PF02771 Acyl-CoA dehydrogenase, N-terminal domain
5 115 InterPro IPR013786 Acyl-CoA dehydrogenase/oxidase, N-terminal
5 240 SUPERFAMILY SSF56645 Acyl-CoA dehydrogenase NM domain-like
5 240 InterPro IPR009100 Acyl-CoA dehydrogenase/oxidase, N-terminal and middle domain superfamily
225 375 SUPERFAMILY SSF47203 Acyl-CoA dehydrogenase C-terminal domain-like
225 375 InterPro IPR036250 Acyl-CoA dehydrogenase-like, C-terminal
120 231 FunFam G3DSA:2.40.110.10:FF:000009 Acyl-CoA dehydrogenase
119 231 Gene3D G3DSA:2.40.110.10 -
119 231 InterPro IPR046373 Acyl-CoA oxidase/dehydrogenase, middle 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.

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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 PA2552
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
1 0.794
5 0.214

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.

18 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
CAA
1JQI
P15651 851.6 Da LogP -1.36 TPSA 380.7 3 viol. ✓ Clean CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P…
COS
5OL2
A0A031WJ47 799.6 Da LogP -1.02 TPSA 346.6 3 viol. ✓ Clean CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([…
FDA
4N5F
B4EGC8 787.6 Da LogP -1.75 TPSA 363.3 3 viol. ✓ Clean Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C…

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.