Protein profile

VK055_1045

putative 2-dehydropantoate 2-reductase

Genome: KpATCC43816

Gene: AIK79668.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GNZ5
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Amino acids 296
Annotations 5
Features 20
PDB binders 1
Druggability 0.301

Overview

Basic information about this protein and its source genome.

Accession
VK055_1045
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79668.1
Status
annotated
Amino acids
296
Structure source
AlphaFold + ColabFold
EC
1.1.1.169
GO
GO:0008677 Catalysis of the reaction: (R)-pantoate + NADP+ = 2-dehydropantoate + H+ + NADPH. 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: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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
96.25

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 0.301
Structure A0A0H3GNZ5
Pocket Pocket 4
P2Rank 0.867
Structure A0A0H3GNZ5
Pocket Pocket 1
ColabFold model
FPocket 0.07 · Pocket 22
P2Rank 0.86 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 35 / 4744 genomes with a hit
Normalized 0.007

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0008677 Catalysis of the reaction: (R)-pantoate + NADP+ = 2-dehydropantoate + H+ + NADPH.
  • 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: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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
6 291 NCBIfam TIGR00745 2-dehydropantoate 2-reductase
6 291 InterPro IPR003710 Ketopantoate reductase ApbA/PanE
6 289 PANTHER PTHR21708 PROBABLE 2-DEHYDROPANTOATE 2-REDUCTASE
1 20 Phobius SIGNAL_PEPTIDE Signal peptide region
7 15 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
16 20 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
170 290 Pfam PF08546 Ketopantoate reductase PanE/ApbA C terminal
170 290 InterPro IPR013752 Ketopantoate reductase, C-terminal domain
170 296 Gene3D G3DSA:1.10.1040.10 -
170 296 InterPro IPR013328 6-phosphogluconate dehydrogenase, domain 2
21 296 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
2 169 Gene3D G3DSA:3.40.50.720 -
6 131 SUPERFAMILY SSF51735 NAD(P)-binding Rossmann-fold domains
6 131 InterPro IPR036291 NAD(P)-binding domain superfamily
1 6 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
170 290 SUPERFAMILY SSF48179 6-phosphogluconate dehydrogenase C-terminal domain-like
170 290 InterPro IPR008927 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily
7 149 Pfam PF02558 Ketopantoate reductase PanE/ApbA
7 149 InterPro IPR013332 Ketopantoate reductase, N-terminal domain
7 24 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A0H3GNZ5
AlphaFold — — full sequence — Viewing
ColabFold VK055_1045
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 0.301
21 0.036
19 0.002

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 25.62 0.867
2 1.4 0.014

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.

51 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

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.