Genome KpKP13

Protein target profile

PTS system alpha-glucoside-specific EIICB component

Accession: KP13_00068

Gene: AHE41991.1 aglA 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GZ00
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Length 583
Pocket druggability (P2Rank · AlphaFold DB model) 0.977
Functional annotation 0 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.

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.98, FPocket 0.74). Use the 3D pocket comparison to verify whether they identify the same site. No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Strong predicted binding pocket FPocket selected-pocket score 0.74. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.98. Review the complete evidence below

Risks to review

Microbiome similarity 157 of 4744 screened genomes (3.3%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.98) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

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
3.3% 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
82.74 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) 0.977
Structure A0A0H3GZ00
Pocket Pocket 1
Druggability (FPocket) 0.742
Structure A0A0H3GZ00
Pocket Pocket 8
ColabFold model
P2Rank 0.971 · Pocket 1
FPocket 0.724 · Pocket 11
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 157 / 4744 genomes with a hit
Prevalence 3.3%

Cross-references

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

Sequence

UniProt A0A0H3GZ00

Sequence

Primary amino-acid sequence viewer.

MNGITNRNGAACCRTGKFLFSSQAGNQEKEGHSPYELLHEDFPMLSQIQRFGGAMFTPVLLFPFAGIVVGIAIMLRNPMFVGEALTAPDSLFAQIVHIIEEGGWTVFRNMPLIFAVGLPIGLAKQAQGRACLAVLVSFLTWNYFINAMGMTWGHFFGVDFSAEPTAGSGLTMIAGIKTLDTSIIGAIVISGLVTALHNRYFDKPLPVFLGIFQGSSFVVIVAFLAMIPCAWLTLLGWPKVQLGIESLQAFLRSAGALGVWVYIFLERILIPTGLHHFVYGPFIFGPAVVEGGLQVYWAEHLQAFSQSTEPLKTLFPEGGFALHGNSKVFGSVGIALALYFTAAPENRVKVAGLLIPATLTAMLVGITEPLEFTFLFISPLLFAVHAVLAATMATVMYICGVVGNFGGGLLDQFLPQNWIPMFHHHASMMFIQIGIGLCFTALYFVVFRTLILRLNLKTPGREESEIKLYSKADYQAARGKTTAAAAPETRLGQAAGFLQALGGADNIESINNCATRLRIALVDMAKTQSDDVFKALGAHGVVRRGNGIQVIVGLHVPQVRDQLENLMKDSLSTEHTTMTEAVS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

6
  • 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.
  • GO:0008982 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein N-phosphohistidine + sugar(out) = protein histidine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • GO:0090563 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein S-phosphocysteine + sugar(out) = protein cysteine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

58 records
Show feature table
Start End DB Term Name
266 276 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1 53 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
242 264 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
42 463 ProSiteProfiles PS51103 PTS_EIIC type-1 domain profile.
42 463 InterPro IPR013013 Phosphotransferase system, EIIC component, type 1
348 366 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
299 317 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
277 298 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
205 227 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
44 569 PANTHER PTHR30009 CYTOCHROME C-TYPE SYNTHESIS PROTEIN AND PTS TRANSMEMBRANE COMPONENT
54 75 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
494 567 SUPERFAMILY SSF55604 Glucose permease domain IIB
494 567 InterPro IPR036878 Glucose permease domain IIB
492 570 Gene3D G3DSA:3.30.1360.60 Glucose permease domain IIB
492 570 InterPro IPR036878 Glucose permease domain IIB
367 371 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
172 195 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
506 523 ProSitePatterns PS01035 PTS EIIB domains cysteine phosphorylation site signature.
506 523 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
106 123 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
130 152 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
276 298 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
103 401 NCBIfam TIGR00852 maltose/glucose-specific PTS transporter subunit IIC
103 401 InterPro IPR004719 Phosphotransferase system, maltose/glucose-specific subfamily IIC component
45 567 NCBIfam TIGR02005 alpha-glucoside-specific PTS transporter subunit IIBC
45 567 InterPro IPR010975 Phosphotransferase system, alpha-glucoside-specific IIBC component
493 567 CDD cd00212 PTS_IIB_glc
493 567 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
76 105 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
415 425 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
389 394 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
372 388 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
134 156 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
342 347 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
387 409 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
497 526 Pfam PF00367 phosphotransferase system, EIIB
497 526 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
235 245 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
124 129 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
452 553 NCBIfam TIGR00826 glucose PTS transporter subunit EIIB
452 553 InterPro IPR001996 Phosphotransferase system, IIB component, type 1
196 206 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
207 234 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
395 414 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
448 583 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
491 573 ProSiteProfiles PS51098 PTS_EIIB type-1 domain profile.
491 573 InterPro IPR001996 Phosphotransferase system, IIB component, type 1
321 343 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
246 265 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
153 171 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
51 73 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
171 193 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
350 372 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
318 341 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
426 447 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
430 452 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
53 389 Pfam PF02378 Phosphotransferase system, EIIC
53 389 InterPro IPR003352 Phosphotransferase system, EIIC

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
0.977
Likely same site as FPocket 1 1.2 Å 31 shared residues 94% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.573
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Surrounding area
Pocket 3 P2Rank #3
0.239
Likely same site as FPocket 12 2.0 Å 9 shared residues 90% of smaller site
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Surrounding area
Pocket 4 P2Rank #4
0.08
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Surrounding area
Pocket 5 P2Rank #5
0.051
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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 #8
0.742
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Surrounding area
Pocket 2 FPocket #1
0.591 Unusual size
Likely same site as P2Rank 1 1.2 Å 31 shared residues 94% of smaller site
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Surrounding area
Pocket 3 FPocket #12
0.202
Likely same site as P2Rank 3 2.0 Å 9 shared residues 90% of smaller site
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Surrounding area
Residue sets
UniProt: Active site:470-470 Phosphocysteine intermediate; for EIIB activity
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_A0A0H3GZ00
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00068
ColabFold — — full sequence — Loaded