Protein profile

PA1752

2-dehydropantoate 2-reductase

Genome: NC_002516.2

Gene: PA1752 Structure source: Experimental + AlphaFold UniProt Q9I2Y5
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Amino acids 315
Annotations 6
Features 16
PDB binders 2
Druggability 0.679

Overview

Basic information about this protein and its source genome.

Accession
PA1752
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1752
Status
annotated
Amino acids
315
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:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose. 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
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 0.679
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MDSKQQRIGVIGTGAIGGFYGLMLAHAGHDVHFLLRSEFEAVNRAGLSLNSAVHGFRRLAPVQAYHSAQDMPPCDWLLVGAKTTGNDELAPLIRAAAAPGAKVLLLQNGLGVEERLRPLLPESLHLLGGLCFICVHRGEPGVIEHQAYGGVNLGYHSGPADERRRREIVEEGAALFRESGLESTAMPDLEQARWQKLVWNIPYNGLSVLLKSSTAPLMANADSRSLIEAIMEEVIGAAGACGFILPEGYADQLLAATERMPDYRPSMYHDFAHGRPLELAAIYAAPLARAAAAGYRMPRVEALHQALRFLEAQPR

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:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • 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.

16 records
Show feature table
Start End DB Term Name
5 186 Gene3D G3DSA:3.40.50.720 -
7 29 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
7 313 NCBIfam TIGR00745 2-dehydropantoate 2-reductase
7 313 InterPro IPR003710 Ketopantoate reductase ApbA/PanE
1 313 PANTHER PTHR21708 PROBABLE 2-DEHYDROPANTOATE 2-REDUCTASE
188 311 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
188 311 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
7 162 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
7 162 InterPro IPR036291 NAD(P)-binding domain superfamily
8 157 Pfam PF02558 Ketopantoate reductase PanE/ApbA
8 157 InterPro IPR013332 Ketopantoate reductase, N-terminal domain
188 315 FunFam G3DSA:1.10.1040.10:FF:000017 2-dehydropantoate 2-reductase
188 315 Gene3D G3DSA:1.10.1040.10 -
188 315 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2
188 310 Pfam PF08546 Ketopantoate reductase PanE/ApbA C terminal
188 310 InterPro IPR013752 Ketopantoate reductase, C-terminal domain

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

5 + 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 8IXH
X-ray 1.95 Å A,B,C
100.0% 1-315
PDBe RCSB PDBj File
Viewing
PDB 8IXM
X-ray 1.96 Å A,B
100.0% 1-315
PDBe RCSB PDBj File
Loaded
PDB 8IWG
X-ray 2.15 Å A,B
100.0% 1-315
PDBe RCSB PDBj File
Loaded
PDB 8IWQ
X-ray 2.19 Å A,B
100.0% 1-315
PDBe RCSB PDBj File
Loaded
PDB 8IX9
X-ray 2.20 Å A,B,C
100.0% 1-315
PDBe RCSB PDBj File
Loaded
AlphaFold PA1752
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
1 0.679

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 38.2 0.959
2 1.09 0.007
3 0.65 0.001

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.

52 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
AOT
5X20
Q3Y316 165.1 Da LogP 0.71 TPSA 66.4 ✓ Ro5 ✓ Clean c1ccc(cc1)NC(=O)C(=O)O
KPL
5AYV
Q5JGC2 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.