KpATCC43816 Protein target profile

putative efflux pump outer membrane protein ttgC

Accession: VK055_3425

Gene: AIK81982.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GXJ8
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Length 448
Pocket druggability (P2Rank · AlphaFold DB model) 0.05
Direct ligand evidence 0 55 total records
Functional annotation 0 EC 5 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. Moderate predicted binding pocket FPocket selected-pocket score 0.55. This supports review but is not experimental validation. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 5 structural and 0 bioactivity records.

Risks to review

Microbiome similarity 33 of 4744 screened genomes (0.7%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 0.55) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.05.

Evidence coverage

Core evidence streams are available for this target.
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
0.7% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
42.919 Higher values support similarity to known essential genes.
DEG E-value
1.9400000000000002e-110 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
92.18 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) 0.05
Structure A0A0H3GXJ8
Pocket Pocket 1
Druggability (FPocket) 0.554
Structure A0A0H3GXJ8
Pocket Pocket 28
ColabFold model
P2Rank 0.025 · Pocket 1
FPocket 0.598 · Pocket 3
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 33 / 4744 genomes with a hit
Prevalence 0.7%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MFIALLTAGCVSLDPHYERPAAPVPATLPGAHGESTAVVGDWQKVVNDARLKKVVSIALNSNRDVQKALADIEAARAQYGETRASLFPTVDAELSHTRSKTVASGLSSASQADGAVSSFELDLFGKNQSLSRAARETWLASEFTAQNTRLTMIADLTTAWVTLATDNSNLALAQQTMDSAANSRNIVARQMAVGTASAGDVSSAESVYQQARASVASYRTLVAQDKNAINLLAGETVPESLLPGTLESLGDNSIALVPAGVSSSVLLRRPDIQEAEHNLKSANADIGAARANFFPSISLTASAGVGSDSLSSLFSHGMQVWSFAPSISLPLFTGGSNLAQLRYAEAEKKGLIATYEKSIQSAFKDVADALARRETLSEELDAQRQYVAAEQTSLDIAMKSYQAGVGDYLSVLTAQRTLWSAKTTLLSLQQTDLNNRITLWQSLGGGAS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization
OuterMembrane

Gene Ontology (GO)

5
  • 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:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • 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.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
2 446 NCBIfam TIGR01845 efflux transporter outer membrane subunit
2 446 InterPro IPR010131 RND efflux system, outer membrane lipoprotein, NodT
41 446 Gene3D G3DSA:1.20.1600.10 Outer membrane efflux proteins (OEP)
272 292 Coils Coil Coil
88 335 Gene3D G3DSA:2.20.200.10 Outer membrane efflux proteins (OEP)
2 446 SUPERFAMILY SSF56954 Outer membrane efflux proteins (OEP)
2 13 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
22 448 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 1 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
52 234 Pfam PF02321 Outer membrane efflux protein
52 234 InterPro IPR003423 Outer membrane efflux protein
265 431 Pfam PF02321 Outer membrane efflux protein
265 431 InterPro IPR003423 Outer membrane efflux protein
14 21 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
4 446 PANTHER PTHR30203 OUTER MEMBRANE CATION EFFLUX PROTEIN
1 21 Phobius SIGNAL_PEPTIDE Signal peptide region

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
0.05
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Surrounding area
Pocket 2 P2Rank #2
0.048
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Surrounding area
Pocket 3 P2Rank #3
0.018
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Surrounding area
Pocket 4 P2Rank #4
0.014
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Surrounding area
Pocket 5 P2Rank #5
0.004
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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 #28
0.554
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Surrounding area
Pocket 2 FPocket #25
0.403
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Surrounding area
Pocket 3 FPocket #16
0.236
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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_A0A0H3GXJ8
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_3425
ColabFold — — full sequence — Loaded

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

55 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 5 records from similar proteins
Structural ligands 5 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
3PK PDB via homolog 258.4 Da · LogP 3.23 · TPSA 52.6 Open detail RCSB PDB
BOG PDB via homolog Detail RCSB PDB
C8E PDB via homolog Detail RCSB PDB
PLM PDB via homolog Detail RCSB PDB
XE PDB via homolog Detail RCSB PDB

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
3PK RCSB PDB
4K7R
P77211 258.4 Da LogP 3.23 TPSA 52.6 ✓ Ro5 ✓ Clean CCCCCC(=O)O[C@@H](C)COC(=O)CCCC
BOG RCSB PDB
5IUY
Q9I0Y7 292.4 Da LogP 0.16 TPSA 99.4 ✓ Ro5 ✓ Clean CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)…
C8E RCSB PDB
4MT4
Q8RTE3 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
PLM RCSB PDB
4Y1K
Q51487 256.4 Da LogP 5.55 TPSA 37.3 1 viol. ✓ Clean CCCCCCCCCCCCCCCC(=O)O
XE RCSB PDB
5NSW
Q9I0Y7 131.3 Da LogP 0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [Xe]

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

Cross-references

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

Sequence

UniProt A0A0H3GXJ8