Protein target profile

VK055_0713

H+ antiporter-2 family protein

Genome: KpATCC43816 Gene: AIK79336.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GNL5
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Length 520
Pocket druggability 0.999
Direct ligand evidence 0 60 total records
Functional annotation 0 EC 4 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

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Second pocket predictor agrees P2Rank predicted binding-site probability 0.99. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 0 structural and 10 bioactivity records.

Risks to review

Microbiome similarity 7 of 4744 screened genomes (0.1%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 1.00) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant. Best pocket may be a modeling artifact FPocket selected-pocket score 1.00, but this pocket's geometry is unusually large/diffuse compared to this protein's other predicted pockets — may reflect a low-confidence or disordered model region rather than a real cavity.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.
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
0.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
33.054 Higher values support similarity to known essential genes.

Localization

Localization
CytoplasmicMembrane

Structure confidence

ColabFold pLDDT
87.99 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 0.999
Structure A0A0H3GNL5
Pocket Pocket 28
P2Rank 0.986
Structure A0A0H3GNL5
Pocket Pocket 1
ColabFold model
FPocket 0.884 · Pocket 34
P2Rank 0.994 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 7 / 4744 genomes with a hit
Prevalence 0.1%

Cross-references

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

Sequence

UniProt A0A0H3GNL5

Chemistry

ChEMBL 4YH ChEMBL CHEMBL1502567 ChEMBL CHEMBL224214 ChEMBL CHEMBL4164617 ChEMBL CHEMBL4168026 ChEMBL CHEMBL4169953 ChEMBL CHEMBL4171005 ChEMBL CHEMBL4171337 ChEMBL CHEMBL4172500 ChEMBL CHEMBL4172832

Sequence

Primary amino-acid sequence viewer.

MSTVQALSAPQGLSMPTAKKIFAFASMCVGMFIALIDIQIVSASLRDIGGGLSAGDDETVWVQTSYLIAEIIIIPLSGWLARVMSTRWLFAASAAGFTLMSLLCGWAWNIQSMIAFRALQGLAGGSMIPLVFTTAFAFFQGKQRVIAAATIGGLASLAPTLGPTVGGWITENYNWHWLFFINVVPGIYIAVAVPLLVKVDSADPTLLRGADYLSILLLALSLGCLEYTLEEGPRWGWFDDATLTTTAWVALLCGVAFVIRTLRHPQPVMDLRALQDRTFSLGCYFSFMAGVGIFATIYLTPLYLGSVRGFSALEIGLAVFSTGLFQVMSIPFYSWLANRVDLRWLLMAGLIGFAVSMYSFVPITHDWGADQLLLPQAFRGLAQQFAVAPTVTLTLGSLPPARLKLASGLFNLLRNLGGAIGIALCGTVLNDRTNLHYSRLADHLNNANLAMSDFVQRSAANFTVQGISPDAAQTAALKNLSALALREARTQAFSDAFYLIMMGFLLAALLVPLMKKPPAH

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • 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: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.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

60 records
Show feature table
Start End DB Term Name
412 429 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
114 139 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
407 429 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
28 421 Pfam PF07690 Major Facilitator Superfamily
28 421 InterPro IPR011701 Major facilitator superfamily
401 411 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
24 225 Gene3D G3DSA:1.20.1720.10 Multidrug resistance protein D
381 400 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
241 262 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
310 332 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
116 138 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
283 304 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
41 59 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
23 511 PANTHER PTHR42718 MAJOR FACILITATOR SUPERFAMILY MULTIDRUG TRANSPORTER MFSC
21 40 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
145 167 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
146 169 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
177 199 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
212 229 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
21 511 NCBIfam TIGR00711 DHA2 family efflux MFS transporter permease subunit
21 511 InterPro IPR004638 Drug resistance transporter EmrB-like
496 514 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
283 305 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
315 337 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
21 40 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
60 81 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 20 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
263 282 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
16 517 SUPERFAMILY SSF103473 MFS general substrate transporter
16 517 InterPro IPR036259 MFS transporter superfamily
140 145 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
230 240 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
88 110 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
515 520 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
27 446 CDD cd17503 MFS_LmrB_MDR_like
305 309 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
496 514 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
198 208 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
82 87 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
60 81 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
244 262 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
170 174 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
23 519 ProSiteProfiles PS50850 Major facilitator superfamily (MFS) profile.
23 519 InterPro IPR020846 Major facilitator superfamily domain
109 113 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
209 229 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
344 361 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
333 343 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
430 495 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
147 171 PRINTS PR01036 Tetracycline resistance protein TetB signature
172 196 PRINTS PR01036 Tetracycline resistance protein TetB signature
412 431 PRINTS PR01036 Tetracycline resistance protein TetB signature
117 137 PRINTS PR01036 Tetracycline resistance protein TetB signature
26 50 PRINTS PR01036 Tetracycline resistance protein TetB signature
175 197 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
362 380 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
342 364 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
272 441 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
272 441 InterPro IPR036259 MFS transporter superfamily
88 108 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.

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 · FPocket

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

Site 1 FPocket #28
0.999
Unusual size
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Surrounding area
Site 2 FPocket #32
0.406
Show in viewer
Surrounding area
Site 3 FPocket #13
0.29
Likely same site as P2Rank 2 4.8 Å 5 shared residues 42% of smaller site
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Surrounding area

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1
0.986
Show in viewer
Surrounding area
Site 2 P2Rank #2
0.47
Likely same site as FPocket 13 4.8 Å 5 shared residues 42% of smaller site
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Surrounding area
Site 3 P2Rank #3
0.194
Show in viewer
Surrounding area
Site 4 P2Rank #4
0.174
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Surrounding area
Site 5 P2Rank #5
0.075
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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_A0A0H3GNL5
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_0713
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.

60 records
Chemistry signal

Bioactivity evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 10 records from similar proteins
Structural ligands 0 0 loaded crystals
Measured bioactivity 10 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
4YH ChEMBL via homolog 454.6 Da · LogP 5.09 · TPSA 64.0 Open detail ChEMBL
CHEMBL1502567 ChEMBL via homolog Detail ChEMBL
CHEMBL224214 ChEMBL via homolog Detail ChEMBL
CHEMBL4164617 ChEMBL via homolog Detail ChEMBL
CHEMBL4168026 ChEMBL via homolog Detail ChEMBL

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

Show only:
Ligand UniProt (homolog) pchembl MW · LogP · TPSA Lipinski PAINS SMILES
4YH ChEMBL A0R5K5 — 454.6 Da LogP 5.09 TPSA 64.0 1 viol. ✓ Clean CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c…
CHEMBL1502567 ChEMBL A0R5K5 — 196.2 Da LogP 1.85 TPSA 34.4 ✓ Ro5 ✓ Clean O=c1c2ccccc2nc2ccccn12
CHEMBL224214 ChEMBL A0R5K5 — 204.6 Da LogP 2.16 TPSA 72.0 ✓ Ro5 Alert N#CC(C#N)=NNc1cccc(Cl)c1
CHEMBL4164617 ChEMBL A0R5K5 — 265.1 Da LogP 3.15 TPSA 34.4 ✓ Ro5 ✓ Clean O=c1c2cccc(Cl)c2nc2c(Cl)cccn12
CHEMBL4168026 ChEMBL A0R5K5 — 232.2 Da LogP 2.13 TPSA 34.4 ✓ Ro5 ✓ Clean O=c1c2ccccc2nc2c(F)cc(F)cn12
CHEMBL4169953 ChEMBL A0R5K5 — 244.7 Da LogP 2.81 TPSA 34.4 ✓ Ro5 ✓ Clean Cc1cccn2c(=O)c3cccc(Cl)c3nc12
CHEMBL4171005 ChEMBL A0R5K5 — 230.7 Da LogP 2.50 TPSA 34.4 ✓ Ro5 ✓ Clean O=c1c2ccc(Cl)cc2nc2ccccn12
CHEMBL4171337 ChEMBL A0R5K5 — 210.2 Da LogP 2.16 TPSA 34.4 ✓ Ro5 ✓ Clean Cc1cccn2c(=O)c3ccccc3nc12
CHEMBL4172500 ChEMBL A0R5K5 — 248.6 Da LogP 2.64 TPSA 34.4 ✓ Ro5 ✓ Clean O=c1c2cccc(Cl)c2nc2ccc(F)cn12
CHEMBL4172832 ChEMBL A0R5K5 — 228.2 Da LogP 2.30 TPSA 34.4 ✓ Ro5 ✓ Clean Cc1ccn2c(=O)c3cccc(F)c3nc2c1

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.