Protein profile

KP13_02931

Acyl-coenzyme A dehydrogenase

Genome: KpKP13

Gene: fadE AHE46204.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GS96
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Amino acids 814
Annotations 9
Features 34
PDB binders 5
Druggability 0.998

Overview

Basic information about this protein and its source genome.

Accession
KP13_02931
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
fadE AHE46204.1
Status
annotated
Amino acids
814
Structure source
AlphaFold + ColabFold
EC
1.3.8.7 1.3.8.8
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: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. GO:0033539 A fatty acid beta-oxidation pathway in which the initial step of each oxidation cycle, which converts an acyl-CoA to a trans-2-enoyl-CoA, is catalyzed by acyl-CoA dehydrogenase; the electrons removed by oxidation pass through the respiratory chain to oxygen and leave H2O as the product. Fatty acid beta-oxidation begins with the addition of coenzyme A to a fatty acid, and ends when only two or three carbons remain (as acetyl-CoA or propionyl-CoA respectively). 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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0004466 Catalysis of the reaction: a long-chain 2,3-saturated fatty acyl-CoA + H+ + oxidized [electron-transfer flavoprotein] = a long-chain (2E)-enoyl-CoA + reduced [electron-transfer flavoprotein]. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
31.606
Human E-value
3.92e-14
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
93.38

Selected Druggability evidence

AlphaFold / UniProt model

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 0.998
Structure A0A0H3GS96
Pocket Pocket 4
P2Rank 0.959
Structure A0A0H3GS96
Pocket Pocket 1
ColabFold model
FPocket 0.989 · Pocket 1
P2Rank 0.967 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 137 / 4744 genomes with a hit
Normalized 0.029

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 7 GO

Enzyme Commission (EC)

2

Gene Ontology (GO)

7
  • 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: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.
  • GO:0033539 A fatty acid beta-oxidation pathway in which the initial step of each oxidation cycle, which converts an acyl-CoA to a trans-2-enoyl-CoA, is catalyzed by acyl-CoA dehydrogenase; the electrons removed by oxidation pass through the respiratory chain to oxygen and leave H2O as the product. Fatty acid beta-oxidation begins with the addition of coenzyme A to a fatty acid, and ends when only two or three carbons remain (as acetyl-CoA or propionyl-CoA respectively).
  • 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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0004466 Catalysis of the reaction: a long-chain 2,3-saturated fatty acyl-CoA + H+ + oxidized [electron-transfer flavoprotein] = a long-chain (2E)-enoyl-CoA + reduced [electron-transfer flavoprotein]. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons.
  • GO:0070991 Catalysis of the reaction: a medium-chain 2,3-saturated fatty acyl-CoA + H+ + oxidized [electron-transfer flavoprotein] = a medium-chain trans-(2E)-enoyl-CoA + reduced [electron-transfer flavoprotein]. A medium-chain fatty acid has an aliphatic tail containing 6 to 12 carbons.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records
Show feature table
Start End DB Term Name
582 601 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
360 506 FunFam G3DSA:1.20.140.10:FF:000009 Acyl-CoA dehydrogenase
120 235 Gene3D G3DSA:1.10.540.10 -
120 235 InterPro IPR037069 Acyl-CoA dehydrogenase/oxidase, N-terminal domain superfamily
236 359 Gene3D G3DSA:2.40.110.10 -
236 359 InterPro IPR046373 Acyl-CoA oxidase/dehydrogenase, middle domain superfamily
27 35 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 3 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
514 792 Pfam PF09317 Acyl-CoA dehydrogenase, C-terminal, bacterial type
514 792 InterPro IPR015396 Acyl-CoA dehydrogenase, C-terminal, bacterial-type
10 32 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
3 814 NCBIfam NF038187 acyl-CoA dehydrogenase FadE
3 814 InterPro IPR047634 Acyl-CoA dehydrogenase FadE
360 506 Gene3D G3DSA:1.20.140.10 -
236 359 FunFam G3DSA:2.40.110.10:FF:000010 Acyl-CoA dehydrogenase
39 61 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
360 504 Pfam PF00441 Acyl-CoA dehydrogenase, C-terminal domain
360 504 InterPro IPR009075 Acyl-CoA dehydrogenase/oxidase C-terminal
4 17 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
602 814 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
36 58 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
119 235 FunFam G3DSA:1.10.540.10:FF:000004 Acyl-CoA dehydrogenase
1 26 Phobius SIGNAL_PEPTIDE Signal peptide region
135 232 Pfam PF02771 Acyl-CoA dehydrogenase, N-terminal domain
135 232 InterPro IPR013786 Acyl-CoA dehydrogenase/oxidase, N-terminal
237 328 Pfam PF02770 Acyl-CoA dehydrogenase, middle domain
237 328 InterPro IPR006091 Acyl-CoA oxidase/dehydrogenase, middle domain
360 515 SUPERFAMILY SSF47203 Acyl-CoA dehydrogenase C-terminal domain-like
360 515 InterPro IPR036250 Acyl-CoA dehydrogenase-like, C-terminal
76 505 PANTHER PTHR48083 MEDIUM-CHAIN SPECIFIC ACYL-COA DEHYDROGENASE, MITOCHONDRIAL-RELATED
117 355 SUPERFAMILY SSF56645 Acyl-CoA dehydrogenase NM domain-like
117 355 InterPro IPR009100 Acyl-CoA dehydrogenase/oxidase, N-terminal and middle domain superfamily
18 26 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
59 581 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

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

0 + 2

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0H3GS96
AlphaFold — — full sequence — Viewing
ColabFold KP13_02931
ColabFold — — 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
4 0.998
1 0.947
50 0.939
47 0.55

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 23.62 0.891
2 22.13 0.878
3 10.19 0.548
4 7.21 0.375
5 4.21 0.172

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.

10 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
4L1F
D2RL84 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…
MYA
3B96
P49748 977.9 Da LogP 3.37 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(…
TH3
2UXW
P49748 1003.9 Da LogP 3.92 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(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.