KpKP13 Protein target profile

Macrolide-specific efflux protein macA

Accession: KP13_04226

Gene: AHE45457.1 macA 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GQL5
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Length 371
Pocket druggability (FPocket · AlphaFold DB model) 0.144
Functional annotation 0 EC 9 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

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 92 of 4744 screened genomes (1.9%) have a significant similarity hit. Mixed conservation Core/accessory calls are not fully concordant. Weak predicted binding pocket FPocket selected-pocket score 0.14.

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
1.9% 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.

Structure confidence

ColabFold pLDDT
90.95 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)
Structure A0A0H3GQL5
Pocket No pockets
Druggability (FPocket) 0.144
Structure A0A0H3GQL5
Pocket Pocket 5
ColabFold model
FPocket 0.313 · Pocket 12
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 92 / 4744 genomes with a hit
Prevalence 1.9%

Sequence

Primary amino-acid sequence viewer.

MKVKGKRRTVWWLLAIVVLGLAIWGWRILNAPLPNYQTLVVRKGDLQQSVLATGKLDALRKVDVGAQVSGQLKTLHVNIGDKVKKDQLLGVIDPEQAQNQIKEVEATLMELRAQLNQARAESKLAQVTLARQQQLAQRQLVSRQDLDTAATDLAVKQAQIGTIEAQIKRNQATLDTAKTNLDYTRILAPMAGEVTQITTLQGQTVIAAQQAPNILTLADLSTMLVKAQVSEADVIHLRPGQKAWFTVLGDPLTRYEGKLKDILPTPEKVNDAIFYYARFEVPNPQGILRLDMTAQVHIQLAEVKNVITIPLSALGDAVGDNRYHVRLLRTGEVKEREVIIGARNDTDVAVVQGLEEGDEVIVGESASGAAK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

9
  • GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
  • GO:0019898 The component of a membrane consisting of gene products and protein complexes that are loosely bound to one of its surfaces, but not integrated into the hydrophobic region.
  • GO:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:1990195 A bacterial transmembrane transporter complex that spans the entire cell membrane system and possesses ATP-dependent xenobiotic transport activity pumping drugs (typically antibiotics) and other toxins directly from the cytosol out of the bacterial cell. Typically, it is trimeric consisting of a inner membrane ATPase (IMP), a periplasmic membrane fusion protein (MFP) and an outer membrane factor (OMF). In E. coli, macrolide transporter complexes may consists of MacB (IMP), MacA (MFP) and TolC (OMF) or AcrB (IMP), AcrA (MFP) and TolC (OMF). Trimeric TolC is a common OMF found in many macrolide transporter complexes.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • GO:0030313 An envelope that surrounds a bacterial cell and includes the cytoplasmic membrane and everything external, encompassing the periplasmic space, cell wall, and outer membrane if present.
  • GO:1990281 A protein complex that is capable of efflux transmembrane transporter activity.
  • GO:0015562 Enables the transfer of a specific substance or related group of substances from the inside of the cell to the outside of the cell across a membrane.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
9 26 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
26 371 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 25 Phobius SIGNAL_PEPTIDE Signal peptide region
218 297 Gene3D G3DSA:2.40.30.170 -
47 294 Pfam PF16576 Barrel-sandwich domain of CusB or HlyD membrane-fusion
47 294 InterPro IPR032317 RND efflux pump, membrane fusion protein, barrel-sandwich domain
10 21 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
61 217 Gene3D G3DSA:2.40.50.100 -
52 299 SUPERFAMILY SSF111369 HlyD-like secretion proteins
218 297 FunFam G3DSA:2.40.30.170:FF:000007 Macrolide transporter subunit MacA
95 182 Gene3D G3DSA:6.10.140.1990 -
95 182 InterPro IPR030190 Macrolide export protein MacA, alpha-hairpin domain superfamily
39 362 NCBIfam TIGR01730 efflux RND transporter periplasmic adaptor subunit
39 362 InterPro IPR006143 RND efflux pump, membrane fusion protein
298 365 Gene3D G3DSA:2.40.420.20 -
94 128 Coils Coil Coil
22 25 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
5 364 PANTHER PTHR30469 MULTIDRUG RESISTANCE PROTEIN MDTA
1 9 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.

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.

Download VMD script Full viewer

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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
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_A0A0H3GQL5
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_04226
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GQL5