Protein target profile

KP13_02838

glycerol dehydratase medium subunit

Genome: KpKP13 Gene: AHE42593.1 dhaC 3D evidence: Experimental + ColabFold model UniProt O08505
Length 194
Pocket druggability 0.803
Functional annotation 2 EC 2 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
3.9% 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.

Localization

Localization
Cytoplasmic

Structure confidence

ColabFold pLDDT
95.24 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

PDB experimental structure

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.803
Structure 1IWP
Pocket Pocket 1
P2Rank 0.231
Structure 1IWP
Pocket Pocket 1
ColabFold model
FPocket 0.459 · Pocket 1
P2Rank 0.125 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 186 / 4744 genomes with a hit
Prevalence 3.9%

Cross-references

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

Sequence

Primary amino-acid sequence viewer.

MQQTTQIQPSFTLKTREGGVASADERADEVVIGVGPAFDKHQHHTLIDMPHGAILKELIAGVEEEGLHARVVRILRTSDVSFMAWDAANLSGSGIGIGIQSKGTTVIHQRDLLPLSNLELFSQAPLLTLETYRQIGKNAARYARKESPSPVPVVNDQMVRPKFMAKAALFHIKETKHVVQDAEPITLHVDLVRE

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 2 GO

Enzyme Commission (EC)

2

Gene Ontology (GO)

2
  • GO:0046405 Catalysis of the reaction: glycerol = 3-hydroxypropanal + H2O.
  • GO:0050215 Catalysis of the reaction: propane-1,2-diol = H2O + propanal.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

8 records
Show feature table
Start End DB Term Name
13 193 SUPERFAMILY SSF52968 B12-dependent dehydatase associated subunit
13 193 InterPro IPR010254 B12-dependent dehydratases, beta subunit
1 194 Gene3D G3DSA:3.40.50.10150 -
1 194 InterPro IPR010254 B12-dependent dehydratases, beta subunit
2 191 PIRSF PIRSF018506 Prpndl_dhdrts_md
2 191 InterPro IPR025541 Propanediol/glycerol dehydratase, medium subunit
36 148 Pfam PF02288 Dehydratase medium subunit
36 148 InterPro IPR003208 Diol/glycerol dehydratase/dehydratase reactivating factor

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 · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1
0.803
Likely same site as P2Rank 1 6.1 Å 10 shared residues 67% of smaller site
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Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.231
Likely same site as FPocket 1 6.1 Å 10 shared residues 67% of smaller site
Show in viewer
Surrounding area
Site 2 P2Rank #2
0.018
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Surrounding area
All structural evidence 2 experimental · 1 predicted

Structural evidence

2 + 1

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
PDB 1IWP
X-ray 2.10 Å B,E
100.0% 1-194
Viewing
PDB 1MMF
X-ray 2.50 Å B,E
100.0% 1-194
Loaded
ColabFold KP13_02838
ColabFold full sequence Loaded