KpKP13 Protein target profile

putative heptosyltransferas in waa region

Accession: KP13_00197

Gene: AHE42111.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A086IFJ5

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Length 359

Pocket druggability (P2Rank · AlphaFold DB model) 0.936

Functional annotation 0 EC 4 GO

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

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

Main supporting evidence

Risks to review

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein. No ligand evidence No experimental PDB ligands, measured ChEMBL bioactivity, or proposed ZINC compound records are available.

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: 0.2% 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: 95.32 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) 0.936

Structure A0A086IFJ5

Pocket Pocket 1

Druggability (FPocket) 0.547

Structure A0A086IFJ5

Pocket Pocket 3

ColabFold model

P2Rank 0.921 · Pocket 1

FPocket 0.351 · Pocket 17

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 9 / 4744 genomes with a hit

Prevalence 0.2%

Sequence

Primary amino-acid sequence viewer.

MRILKQLTRKKNAFFRGIKFNLINYRYRNKPARKAFDPAAVRRVLLLRLDDKVGDMVVTTGCARILAERGYQVSVLTGPICSEILAGSEFIQQVYLYRPRMSLNTLRAAGFDAVIDFDDVTSYERFKLLADLRATSVIGFNKEPYKLYDHSIAFFDGNSHISLRYKQVVKLFGIVDDRPYHYHLPGCRHEREKVARLLSQAGEVELRIAINPFTASEDKDFCHHQVATLVERLHALPYRVCIVMVGRSEKIRQLGLDMALYIADSTINSAVEVIRSCDLVITPDTSIVHIARAFDKPMVAVYNKRKLKNTGLPGYHIWAPGYDKAKQIVCEEANVADVAIESVWPVIKEQADRLVAARS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0008713 Catalysis of the reaction: heptosyl-KDO2-lipid A + ADP-L-glycero-beta-D-manno-heptose = heptosyl2-KDO2-lipid A + ADP + H+.
GO:0009244 The chemical reactions and pathways resulting in the formation of the core region of bacterial lipopolysaccharides, which contains ten saccharide residues.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

6 records

Show feature table

Start	End	DB	Term	Name
41	348	PANTHER	PTHR30160	TETRAACYLDISACCHARIDE 4'-KINASE-RELATED
38	184	Gene3D	G3DSA:3.40.50.2000	Glycogen Phosphorylase B;
199	357	Gene3D	G3DSA:3.40.50.2000	Glycogen Phosphorylase B;
105	322	Pfam	PF01075	Glycosyltransferase family 9 (heptosyltransferase)
105	322	InterPro	IPR002201	Glycosyl transferase, family 9
42	350	SUPERFAMILY	SSF53756	UDP-Glycosyltransferase/glycogen phosphorylase

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

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.936

Likely same site as FPocket 13 1.6 Å 16 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.032

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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #3

0.547

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Surrounding area

Pocket 2 FPocket #1

0.514 Unusual size

Likely same site as P2Rank 1 7.8 Å 24 shared residues 89% of smaller site

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Surrounding area

Pocket 3 FPocket #2

0.259 Unusual size

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Surrounding area

Pocket 4 FPocket #13

0.201

Likely same site as P2Rank 1 1.6 Å 16 shared residues 100% of smaller site

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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_A0A086IFJ5	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_00197	ColabFold	—	—	full sequence	—	Loaded

Cross-references

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

Sequence

UniProt A0A086IFJ5