Protein profile

KP13_05086

3-hydroxyacyl-CoA dehydrogenase

Genome: KpKP13

Gene: AHE44204.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQY8
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Amino acids 307
Annotations 7
Features 20
PDB binders 8
Druggability 0.818

Overview

Basic information about this protein and its source genome.

Accession
KP13_05086
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44204.1
Status
annotated
Amino acids
307
Structure source
AlphaFold + ColabFold
EC
1.1.1.45
GO
GO:0006631 The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis. GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP. GO:0070403 Binding to the oxidized form, NAD, of nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0050104 Catalysis of the reaction: L-gulonate + NAD+ = 3-dehydro-L-gulonate + H+ + NADH.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
34.815
Human E-value
5.01e-15
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
95.69

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 0.818
Structure A0A0H3GQY8
Pocket Pocket 1
P2Rank 0.111
Structure A0A0H3GQY8
Pocket Pocket 1
ColabFold model
FPocket 0.457 · Pocket 3
P2Rank 0.168 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 21 / 4744 genomes with a hit
Normalized 0.004

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0006631 The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis.
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
  • GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.
  • GO:0070403 Binding to the oxidized form, NAD, of nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0050104 Catalysis of the reaction: L-gulonate + NAD+ = 3-dehydro-L-gulonate + H+ + NADH.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
190 306 Gene3D G3DSA:1.10.1040.10 -
190 306 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2
186 292 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
186 292 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
1 5 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
20 307 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
5 290 PANTHER PTHR48075 3-HYDROXYACYL-COA DEHYDROGENASE FAMILY PROTEIN
6 182 Pfam PF02737 3-hydroxyacyl-CoA dehydrogenase, NAD binding domain
6 182 InterPro IPR006176 3-hydroxyacyl-CoA dehydrogenase, NAD binding
187 285 Pfam PF00725 3-hydroxyacyl-CoA dehydrogenase, C-terminal domain
187 285 InterPro IPR006108 3-hydroxyacyl-CoA dehydrogenase, C-terminal
4 183 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
4 183 InterPro IPR036291 NAD(P)-binding domain superfamily
6 14 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 20 ProSiteProfiles PS51257 Prokaryotic membrane lipoprotein lipid attachment site profile.
1 19 Phobius SIGNAL_PEPTIDE Signal peptide region
4 189 Gene3D G3DSA:3.40.50.720 -
1 306 PIRSF PIRSF000105 HCDH
1 306 InterPro IPR022694 3-hydroxyacyl-CoA dehydrogenase
15 19 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.

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_A0A0H3GQY8
AlphaFold — — full sequence — Viewing
ColabFold KP13_05086
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
1 0.818
24 0.243

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 1.73 0.031
2 1.33 0.015

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.

58 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
3H9
3ZWA
P07896 877.7 Da LogP -3.31 TPSA 395.2 3 viol. ✓ Clean CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)…
3HC
1F12
Q16836 853.6 Da LogP -1.56 TPSA 383.9 3 viol. ✓ Clean CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](…
CAA
4KUH
C4IEM5 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…
HSC
3ZWC
P07896 933.8 Da LogP -1.75 TPSA 395.2 3 viol. ✓ Clean CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C…
PE8
1ZEJ
O28262 370.4 Da LogP -0.91 TPSA 105.1 ✓ Ro5 ✓ Clean C(COCCOCCOCCOCCOCCOCCOCCO)O
T1G
3ZW9
P07896 863.6 Da LogP -3.85 TPSA 395.2 3 viol. ✓ Clean C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](…
TC6
3ZWB
P07896 859.6 Da LogP -2.51 TPSA 374.9 2 viol. ✓ Clean CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP…
ZOZ
5OMO
P07896 935.8 Da LogP 0.98 TPSA 380.7 3 viol. ✓ Clean CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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.