KpATCC43816 Protein target profile

outer membrane lipocarrier protein LolA

Accession: VK055_1562

Gene: lolA AIK80182.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GKZ2

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Length 190

Pocket druggability (P2Rank · AlphaFold DB model) 0.674

Direct ligand evidence 0 13 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

Risks to review

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: 2.4% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 94.211 Higher values support similarity to known essential genes.
DEG E-value: 2.37e-134 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 91.77 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) 0.674

Structure A0A0H3GKZ2

Pocket Pocket 1

Druggability (FPocket) 0.454

Structure A0A0H3GKZ2

Pocket Pocket 5

ColabFold model

P2Rank 0.659 · Pocket 1

FPocket 0.377 · Pocket 5

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 114 / 4744 genomes with a hit

Prevalence 2.4%

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.

MVVSQVWADAASDLKSRLDKVSSFHASFTQKVTDGSGNAVQDGQGDLWVKRPNLFNWHMTQPDESVLVSDGKTLWFYNPFVEQATATWLKDATSNTPFMLIARNQSSDWQQYNIKQNGDDFVLTPKSGSGNLKQFTINVGRDGTIHQFSAVEQDDQRSSYQLKSQQNGAVDAAKFTFTPPKGVTVDDQRK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization: Periplasmic

Gene Ontology (GO)

GO:0042953 The directed movement of any conjugated, water-soluble protein in which the nonprotein group consists of a lipid or lipids, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
GO:0044874 A process in which a lipoprotein is transported to, or maintained in, a specific location in an outer membrane.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
9	190	FunFam	G3DSA:2.50.20.10:FF:000001	Outer-membrane lipoprotein carrier protein
20	178	Pfam	PF03548	Outer membrane lipoprotein carrier protein LolA
20	178	InterPro	IPR004564	Outer membrane lipoprotein carrier protein LolA-like
9	189	SUPERFAMILY	SSF89392	Prokaryotic lipoproteins and lipoprotein localization factors
9	189	InterPro	IPR029046	Lipoprotein localisation LolA/LolB/LppX
1	188	Hamap	MF_00240	Outer-membrane lipoprotein carrier protein [lolA].
1	188	InterPro	IPR018323	Outer membrane lipoprotein carrier protein LolA, Proteobacteria
9	190	Gene3D	G3DSA:2.50.20.10	Lipoprotein localisation LolA/LolB/LppX
3	189	PANTHER	PTHR35869	OUTER-MEMBRANE LIPOPROTEIN CARRIER PROTEIN
3	189	InterPro	IPR004564	Outer membrane lipoprotein carrier protein LolA-like
11	166	CDD	cd16325	LolA
11	166	InterPro	IPR004564	Outer membrane lipoprotein carrier protein LolA-like
2	190	NCBIfam	TIGR00547	outer membrane lipoprotein chaperone LolA
2	190	InterPro	IPR018323	Outer membrane lipoprotein carrier protein LolA, Proteobacteria

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

0.674

Likely same site as FPocket 5 2.9 Å 12 shared residues 80% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.083

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Surrounding area

Pocket 3 P2Rank #3

0.052

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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 #5

0.454

Likely same site as P2Rank 1 2.9 Å 12 shared residues 80% of smaller site

Show in viewer

Surrounding area

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.659

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Surrounding area

Pocket 2 P2Rank #2

0.144

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Surrounding area

Pocket 3 P2Rank #3

0.067

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Surrounding area

Pocket 4 P2Rank #4

0.022

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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_A0A0H3GKZ2	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1562	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.

13 records

Chemistry signal

Bioactivity evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 1 records from similar proteins

Structural ligands 0 0 loaded crystals

Measured bioactivity 1 direct and transferred ChEMBL records

Proposed compounds 12 similarity-based ZINC candidates

Best available ligand signal

CHEMBL1213376 ChEMBL via homolog 406.0 Da · LogP 4.01 · TPSA 46.1 Open detail ChEMBL

ZINC5351406 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC30874791 ZINC proposed compound · Tanimoto 0.610 Detail ZINC

ZINC31769107 ZINC proposed compound · Tanimoto 0.585 Detail ZINC

ZINC12949276 ZINC proposed compound · Tanimoto 0.574 Detail ZINC

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

No PDB ligands found through similar proteins.

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

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

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL1213376 ChEMBL	P61316	—	406.0 Da LogP 4.01 TPSA 46.1	✓ Ro5	✓ Clean	`COc1ccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)cc1OC`

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC5351406 ZINC	1.000	406.0 Da LogP 4.01 TPSA 46.1	✓ Ro5	✓ Clean	`COc1ccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)cc1OC`
ZINC30874791 ZINC	0.610	438.9 Da LogP 2.05 TPSA 92.3	✓ Ro5	✓ Clean	`COc1ccc(CCN2CNC(=NS(=O)(=O)c3ccc(Cl)cc3)NC2)cc1…`
ZINC31769107 ZINC	0.585	436.9 Da LogP 3.78 TPSA 89.2	✓ Ro5	✓ Clean	`COc1ccc(CCN2CN=C(Sc3ccc([N+](=O)[O-])cc3Cl)NC2)…`
ZINC12949276 ZINC	0.574	432.9 Da LogP 3.95 TPSA 68.2	✓ Ro5	✓ Clean	`COc1ccc(CCN2C(=O)CC(=O)N=C2SCc2ccc(Cl)cc2)cc1OC`
ZINC19326063 ZINC	0.569	289.3 Da LogP 0.49 TPSA 81.9	✓ Ro5	✓ Clean	`COc1ccc(CCN2CN=C(NC#N)NC2)cc1OC`
ZINC40387252 ZINC	0.559	342.4 Da LogP -0.03 TPSA 92.3	✓ Ro5	✓ Clean	`COc1ccc(CCN2CN=C(NS(C)(=O)=O)NC2)cc1OC`
ZINC1889031976 ZINC	0.538	469.0 Da LogP 4.39 TPSA 79.1	✓ Ro5	✓ Clean	`COc1ccc(CCn2c(SCc3ccc(Cl)cc3)nc3nccnc3c2=O)cc1OC`
ZINC40387041 ZINC	0.517	464.5 Da LogP 1.42 TPSA 110.7	✓ Ro5	✓ Clean	`COc1ccc(CCN2CNC(=NS(=O)(=O)c3ccc(OC)c(OC)c3)NC2…`
ZINC4120079 ZINC	0.508	404.9 Da LogP 4.03 TPSA 51.1	✓ Ro5	✓ Clean	`COc1ccc(CC(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1OC`
ZINC12371303 ZINC	0.500	442.9 Da LogP 2.62 TPSA 88.6	✓ Ro5	✓ Clean	`COc1ccc(CCN2CNc3c(c(=O)[nH]c(=O)n3-c3ccccc3Cl)C…`
ZINC22607914 ZINC	0.500	404.5 Da LogP 1.40 TPSA 92.3	✓ Ro5	✓ Clean	`COc1ccc(CCN2CNC(=NS(=O)(=O)c3ccccc3)NC2)cc1OC`
ZINC30874858 ZINC	0.500	424.9 Da LogP 2.01 TPSA 92.3	✓ Ro5	✓ Clean	`COc1ccc(CN2CNC(=NS(=O)(=O)c3ccc(Cl)cc3)NC2)cc1OC`

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 A0A0H3GKZ2

Chemistry

ChEMBL CHEMBL1213376