Protein profile

VK055_3970

dihydroxyacetone kinase

Genome: KpATCC43816

Gene: AIK82518.1 dhaK2 Structure source: AlphaFold + ColabFold UniProt A0A0H3GVW0
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Amino acids 549
Annotations 6
Features 21
PDB binders 1
Druggability 0.994

Overview

Basic information about this protein and its source genome.

Accession
VK055_3970
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK82518.1 dhaK2
Status
annotated
Amino acids
549
Structure source
AlphaFold + ColabFold
EC
2.7.1.29
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0006071 The chemical reactions and pathways involving glycerol, 1,2,3-propanetriol, a sweet, hygroscopic, viscous liquid, widely distributed in nature as a constituent of many lipids. GO:0004371 Catalysis of the reaction: ATP + glycerone = ADP + glycerone phosphate + 2 H+. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0019563 The chemical reactions and pathways resulting in the breakdown of glycerol, 1,2,3-propanetriol, a sweet, hygroscopic, viscous liquid, widely distributed in nature as a constituent of many lipids.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
50.303
Human E-value
6.68e-42
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
28.641
Localization
Unknown
ColabFold pLDDT
96.2

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 0.994
Structure A0A0H3GVW0
Pocket Pocket 2
P2Rank 0.99
Structure A0A0H3GVW0
Pocket Pocket 1
ColabFold model
FPocket 0.982 · Pocket 5
P2Rank 0.988 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 62 / 4744 genomes with a hit
Normalized 0.013

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:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0006071 The chemical reactions and pathways involving glycerol, 1,2,3-propanetriol, a sweet, hygroscopic, viscous liquid, widely distributed in nature as a constituent of many lipids.
  • GO:0004371 Catalysis of the reaction: ATP + glycerone = ADP + glycerone phosphate + 2 H+.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0019563 The chemical reactions and pathways resulting in the breakdown of glycerol, 1,2,3-propanetriol, a sweet, hygroscopic, viscous liquid, widely distributed in nature as a constituent of many lipids.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
13 185 Gene3D G3DSA:3.40.50.10440 Dihydroxyacetone kinase; domain 1
356 549 FunFam G3DSA:1.25.40.340:FF:000002 Dihydroxyacetone kinase, L subunit
8 548 PANTHER PTHR28629 TRIOKINASE/FMN CYCLASE
8 327 ProSiteProfiles PS51481 DhaK domain profile.
8 327 InterPro IPR004006 DhaK domain
382 548 SMART SM01120 Dak2_2
382 548 InterPro IPR004007 DhaL domain
32 324 Pfam PF02733 Dak1 domain
32 324 InterPro IPR004006 DhaK domain
382 548 Pfam PF02734 DAK2 domain
357 548 SUPERFAMILY SSF101473 DhaL-like
357 548 InterPro IPR036117 DhaL domain superfamily
3 547 NCBIfam TIGR02361 glycerone kinase
3 547 InterPro IPR012734 Dihydroxyacetone kinase
13 184 FunFam G3DSA:3.40.50.10440:FF:000001 Dihydroxyacetone kinase, DhaK subunit
356 548 ProSiteProfiles PS51480 DhaL domain profile.
356 548 InterPro IPR004007 DhaL domain
352 548 Gene3D G3DSA:1.25.40.340 -
352 548 InterPro IPR036117 DhaL domain superfamily
2 330 SUPERFAMILY SSF82549 DAK1/DegV-like
186 328 Gene3D G3DSA:3.30.1180.20 Dihydroxyacetone kinase; domain 2

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_A0A0H3GVW0
AlphaFold — — full sequence — Viewing
ColabFold VK055_3970
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
2 0.994

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 67.03 0.99
2 15.56 0.756
3 2.49 0.069
4 2.23 0.055
5 2.05 0.045

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.

1 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
2HA
3PNQ
P76015 90.1 Da LogP -1.46 TPSA 57.5 ✓ Ro5 ✓ Clean C(C(=O)CO)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.