Protein target profile

KP13_31576

Multidrug resistance protein A

Genome: KpKP13 Gene: AHE43071.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GWJ4
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Length 390
Pocket druggability 0.085
Functional annotation 0 EC 6 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 124 of 4744 screened genomes (2.6%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.09. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.00.

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
2.6% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
50.535 Higher values support similarity to known essential genes.
DEG E-value
7.37e-125 Smaller values mean stronger essential-gene similarity.

Localization

Localization
CytoplasmicMembrane

Structure confidence

ColabFold pLDDT
91.78 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

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 0.085
Structure A0A0H3GWJ4
Pocket Pocket 2
P2Rank 0.004
Structure A0A0H3GWJ4
Pocket Pocket 1
ColabFold model
FPocket 0.132 · Pocket 16
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 124 / 4744 genomes with a hit
Prevalence 2.6%

Cross-references

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

Sequence

UniProt A0A0H3GWJ4

Sequence

Primary amino-acid sequence viewer.

MSANAESQTPQQPGSKKGKRKGALLLLTLLFIIIAVAYGIYWFLVLRHYEETDDAYVAGNQVQIMAQVAGSVTKVWADNTDYVQKGDPLVTLDRTDAQQAFEKAKTQLAASVRQTRQQMINSKQLQANIDVKKTALAQAQADLNRRIPLGAANLIGREELQHARDTVASAQAELDVAIQQYNANQAIVLGTRLEQQPAVLQAATEVRNAWLALQRTQIVSPISGYVSRRSVQPGAQIGTTTPLMAVVPATNLWIDANFKETQLAHMRIGQPATVISDIYGDDVKYTGKVVGLDMGTGSAFSLLPAQNATGNWIKVVQRLPVRIELDEKQLAEHPLRIGLSTLVEVNTTDRDGEMLASQVRSSPVYESNAREIALDPVNKLIDEIIQANAG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.
  • GO:0042910 Enables the directed movement of a xenobiotic from one side of a membrane to the other. A xenobiotic is a compound foreign to the organism exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • 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:0015721 The directed movement of bile acid and bile salts into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0046677 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
56 113 SUPERFAMILY SSF111369 HlyD-like secretion proteins
61 124 Gene3D G3DSA:2.40.50.100 -
23 44 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
36 345 Pfam PF00529 Cation efflux system protein CusB domain 1
36 345 InterPro IPR043602 Cation efflux system protein CusB, domain 1
160 180 Coils Coil Coil
1 361 PANTHER PTHR30386 MEMBRANE FUSION SUBUNIT OF EMRAB-TOLC MULTIDRUG EFFLUX PUMP
194 270 SUPERFAMILY SSF111369 HlyD-like secretion proteins
234 354 Gene3D G3DSA:2.40.30.170 -
23 45 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
232 354 FunFam G3DSA:2.40.30.170:FF:000003 Multidrug resistance protein A
170 289 Pfam PF16576 Barrel-sandwich domain of CusB or HlyD membrane-fusion
170 289 InterPro IPR032317 RND efflux pump, membrane fusion protein, barrel-sandwich domain
20 345 NCBIfam TIGR00998 EmrA/EmrK family multidrug efflux transporter periplasmic adaptor subunit
20 345 InterPro IPR005694 Membrane fusion proteins, proteobacteria
45 390 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
122 142 Coils Coil Coil
1 22 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

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

Site 1 P2Rank #1
0.004
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_A0A0H3GWJ4
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_31576
ColabFold — — full sequence — Loaded