Genome KpKP13

Protein target profile

PTS-dependent dihydroxyacetone kinase, phosphotransferase subunit dhaM

Accession: KP13_02850

Gene: AHE42581.1 dhaM 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GXV1
Length 473
Pocket druggability (P2Rank) 0.702
Direct ligand evidence 0 2 total records
Functional annotation 1 EC 6 GO
Target summary

Promising target candidate with multiple supporting evidence streams.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Terms and data sources used on this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target
No hit
Gut microbiome similarity
0.8% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
0.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT
87.56 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.702
Structure A0A0H3GXV1
Pocket Pocket 1
Druggability (FPocket) 0.049
Structure A0A0H3GXV1
Pocket Pocket 41
ColabFold model
P2Rank 0.191 · Pocket 1
FPocket 0.654 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 37 / 4744 genomes with a hit
Prevalence 0.8%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

Primary amino-acid sequence viewer.

MVNLVIVSHSARLGEGVGELARQMLINDGCKLAIAAGIDDPDSPIGTDPLKVMEAIESVADTDHVLVMMDIGSALLSAETALDLLDPAIAAKVRLCAAPLVEGTLAATVSAASGAGIDKVIADAMSALEAKRVQLGLPSPTSDAAPAPMLADDGDTKSVSVIINNHNGLHVRPASKLVAALAGFNADLLLEKNGKCVKPDSLNQIALLQVRRNDKLRLLARGPDADAALAAFQALAADNFGESPAAKPAAAPATPERVEGAALRYPLALIQPLRPAAADAAREQQRLRQAIDQTLADLIALTELAENKFHADIAAIFAGHHTLLDDDDLFDAANDRLLTEQCTAEWAWHQVLMELSQQYRQLDDPYLQARYIDIEDILQRTLRHLQGVQERVPTPGEPTIIIADNIYPSTVLQLDASFVKGLCLRDGSEQAHGAIIARAAGIAWLSQQGEALNSVQPGETIVLDMRHQRLIRD

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0047324 Catalysis of the reaction: glycerone + phosphoenolpyruvate = glycerone phosphate + pyruvate.
  • GO:0016310 The process of introducing a phosphate group into a molecule, usually with the formation of a phosphoric ester, a phosphoric anhydride or a phosphoric amide.
  • GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor).
  • 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.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0009401 The uptake and phosphorylation of specific carbohydrates from the extracellular environment; uptake and phosphorylation are coupled, making the PTS a link between the uptake and metabolism of sugars; phosphoenolpyruvate is the original phosphate donor; phosphoenolpyruvate passes the phosphate via a signal transduction pathway, to enzyme 1 (E1), which in turn passes it on to the histidine protein, HPr; the next step in the system involves sugar-specific membrane-bound complex, enzyme 2 (EII), which transports the sugar into the cell; it includes the sugar permease, which catalyzes the transport reactions; EII is usually divided into three different domains, EIIA, EIIB, and EIIC.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

43 records
Show feature table
Start End DB Term Name
276 390 Gene3D G3DSA:1.10.274.10 -
276 390 InterPro IPR036618 PtsI, HPr-binding domain superfamily
397 465 Pfam PF00391 PEP-utilising enzyme, mobile domain
397 465 InterPro IPR008279 PEP-utilising enzyme, mobile domain
168 175 ProSitePatterns PS00369 PTS HPR domain histidine phosphorylation site signature.
168 175 InterPro IPR001020 Phosphotransferase system, HPr histidine phosphorylation site
1 132 Gene3D G3DSA:3.40.50.510 -
1 132 InterPro IPR036662 Phosphotransferase system, mannose-type IIA component superfamily
273 387 SUPERFAMILY SSF47831 Enzyme I of the PEP:sugar phosphotransferase system HPr-binding (sub)domain
273 387 InterPro IPR036618 PtsI, HPr-binding domain superfamily
1 128 SUPERFAMILY SSF53062 PTS system fructose IIA component-like
1 128 InterPro IPR036662 Phosphotransferase system, mannose-type IIA component superfamily
2 127 NCBIfam TIGR02364 dihydroxyacetone kinase phosphoryl donor domain
2 127 InterPro IPR012844 Dihydroxyacetone kinase phosphotransferase subunit, N-terminal domain
391 471 Gene3D G3DSA:3.50.30.10 Phosphohistidine domain
370 471 SUPERFAMILY SSF52009 Phosphohistidine domain
370 471 InterPro IPR036637 Phosphohistidine domain superfamily
1 135 ProSiteProfiles PS51096 PTS_EIIA type-4 domain profile.
1 135 InterPro IPR004701 Phosphotransferase system, mannose-type IIA component
4 120 Pfam PF03610 PTS system fructose IIA component
4 120 InterPro IPR004701 Phosphotransferase system, mannose-type IIA component
1 134 PANTHER PTHR38594 PEP-DEPENDENT DIHYDROXYACETONE KINASE, PHOSPHORYL DONOR SUBUNIT DHAM
1 134 InterPro IPR039643 Dihydroxyacetone kinase phosphotransferase subunit DhaM
159 242 SUPERFAMILY SSF55594 HPr-like
159 242 InterPro IPR035895 HPr-like superfamily
161 223 CDD cd00367 PTS-HPr_like
161 223 InterPro IPR000032 Phosphocarrier protein HPr-like
157 243 Gene3D G3DSA:3.30.1340.10 -
157 243 InterPro IPR035895 HPr-like superfamily
156 243 ProSiteProfiles PS51350 PTS HPR domain profile.
156 243 InterPro IPR000032 Phosphocarrier protein HPr-like
168 184 PRINTS PR00107 Phosphocarrier protein signature
168 184 InterPro IPR000032 Phosphocarrier protein HPr-like
208 225 PRINTS PR00107 Phosphocarrier protein signature
208 225 InterPro IPR000032 Phosphocarrier protein HPr-like
193 208 PRINTS PR00107 Phosphocarrier protein signature
193 208 InterPro IPR000032 Phosphocarrier protein HPr-like
159 236 Pfam PF00381 PTS HPr component phosphorylation site
159 236 InterPro IPR000032 Phosphocarrier protein HPr-like
158 235 NCBIfam TIGR01003 HPr family phosphocarrier protein
158 235 InterPro IPR000032 Phosphocarrier protein HPr-like
272 370 Pfam PF05524 PEP-utilising enzyme, N-terminal
272 370 InterPro IPR008731 Phosphotransferase system, enzyme I N-terminal

3D structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

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Pocket score High Medium Low
How colors and pocket overlays are used
Uniform protein color marks the displayed model as a single molecular object.
Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.
Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.
'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.
'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.
'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.702
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.014
Show in viewer
Surrounding area
Pocket 3 P2Rank #3
0.009
Show in viewer
Surrounding area
Pocket 4 P2Rank #4
0.008
Show in viewer
Surrounding area
All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold DB AF_A0A0H3GXV1
AlphaFold DB full sequence Viewing
ColabFold KP13_02850
ColabFold full sequence Loaded

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.

2 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 2 records from similar proteins
Structural ligands 2 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 0 similarity-based ZINC candidates
Best available ligand signal
OXL PDB via homolog 88.0 Da · LogP -3.51 · TPSA 80.3 Open detail RCSB PDB
PO3 PDB via homolog Detail RCSB PDB

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
OXL RCSB PDB P08839 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
PO3 RCSB PDB P08839 79.0 Da LogP -1.64 TPSA 63.2 ✓ Ro5 ✓ Clean [O-][P-](=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.