Protein profile

PA4397

2-dehydropantoate 2-reductase

Genome: NC_002516.2

Gene: panE PA4397 Structure source: Experimental + AlphaFold UniProt Q9HW09
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Amino acids 303
Annotations 6
Features 20
PDB binders 4
Druggability 0.222

Overview

Basic information about this protein and its source genome.

Accession
PA4397
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
panE PA4397
Status
annotated
Amino acids
303
Structure source
Experimental + AlphaFold
EC
1.1.1.169
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0008677 Catalysis of the reaction: (R)-pantoate + NADP+ = 2-dehydropantoate + H+ + NADPH. GO:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH. GO:0015940 The chemical reactions and pathways resulting in the formation 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: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.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Unknown

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 0.222
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

5
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0008677 Catalysis of the reaction: (R)-pantoate + NADP+ = 2-dehydropantoate + H+ + NADPH.
  • GO:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH.
  • GO:0015940 The chemical reactions and pathways resulting in the formation 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: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.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
1 22 Phobius SIGNAL_PEPTIDE Signal peptide region
1 5 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
2 296 NCBIfam TIGR00745 2-dehydropantoate 2-reductase
2 296 InterPro IPR003710 Ketopantoate reductase ApbA/PanE
1 292 PANTHER PTHR43765 2-DEHYDROPANTOATE 2-REDUCTASE-RELATED
1 168 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
1 168 InterPro IPR036291 NAD(P)-binding domain superfamily
6 17 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
3 149 Pfam PF02558 Ketopantoate reductase PanE/ApbA
3 149 InterPro IPR013332 Ketopantoate reductase, N-terminal domain
174 293 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
174 293 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
174 296 Gene3D G3DSA:1.10.1040.10 -
174 296 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2
18 22 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
174 292 Pfam PF08546 Ketopantoate reductase PanE/ApbA C terminal
174 292 InterPro IPR013752 Ketopantoate reductase, C-terminal domain
23 303 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 173 Gene3D G3DSA:3.40.50.720 -
1 22 SignalP_EUK SignalP-noTM SignalP-noTM

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

3 + 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 5ZIK
X-ray 2.45 Å A,B,C
100.0% 1-303
PDBe RCSB PDBj File
Viewing
PDB 6K1R
X-ray 2.55 Å A,B,C
100.0% 1-303
PDBe RCSB PDBj File
Loaded
PDB 5ZIX
X-ray 2.57 Å A,B,C
100.0% 1-303
PDBe RCSB PDBj File
Loaded
AlphaFold PA4397
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
2 0.222

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 4.07 0.164
2 3.61 0.135
3 2.81 0.087
4 2.46 0.067
5 1.83 0.035

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.

60 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
KPL
6K1R 2.55 Å Open crystal
146.1 Da LogP -0.34 TPSA 74.6 ✓ Ro5 ✓ Clean CC(C)(CO)C(=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.