KpATCC43816 Protein target profile

putative outer membrane lipoprotein Wza

Accession: VK055_5015

Gene: AIK83541.1 wza 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt Q48450

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Length 378

Pocket druggability (P2Rank · AlphaFold DB model) 0.02

Direct ligand evidence 0 16 total records

Functional annotation 0 EC 7 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: 1.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 39.789 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 92.76 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) 0.02

Structure Q48450

Pocket Pocket 1

Druggability (FPocket) 0.714

Structure Q48450

Pocket Pocket 4

ColabFold model

P2Rank 0.017 · Pocket 1

FPocket 0.63 · Pocket 2

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 92 / 4744 genomes with a hit

Prevalence 1.9%

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.

MKKKIVRFSALALAIGFLSGCTIVPGQGLNSLRKNVVELPDSDYDLDKLVNVYPMTPGLIDQLRPETILARPNPQLDNLLRSYEYRIGVGDVLMVTVWDHPELTTPAGQYRSASDTGNWVNSDGTIFYPYIGKVQVAGKTLSQVRQDIASRLTTYIESPQVDVSVAAFRSQKAYVTGEVAKSGQQPITNIPLTVMDAINAAGGLAPDADWRNVVLTHNGKDTKVSLYALMQKGDLTQNHLLYPGDILFVPRNDDLKVFVMGEVGKQSTLKMDRSGMTIAEALGNAEGMSQAFSDATGVFVIRQLKGDKQGKIANIYQLNAQDASAMVLGTEFQLQPYDIVYVTTAPLVRWNRVISQLVPTITGVHDMTETAKFIKDWP

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Subcellular localization

Localization: OuterMembrane

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0015159 Enables the transfer of polysaccharides from one side of a membrane to the other. A polysaccharide is a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
GO:0015774 The directed movement of polysaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. A polysaccharide is a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
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.
GO:0046930 A protein complex providing a discrete opening in a membrane that allows the passage of gases and/or liquids.
GO:0015288 Enables the transfer of substances, sized less than 1000 Da, from one side of a membrane to the other. The transmembrane portions of porins consist exclusively of beta-strands which form a beta-barrel. They are found in the outer membranes of Gram-negative bacteria, mitochondria, plastids and possibly acid-fast Gram-positive bacteria.
GO:0006811 The directed movement of a monoatomic ion into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Monatomic ions (also called simple ions) are ions consisting of exactly one atom.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

20 records

Show feature table

Start	End	DB	Term	Name
175	252	Gene3D	G3DSA:3.10.560.10	Outer membrane lipoprotein wza domain like
173	221	Pfam	PF10531	SLBB domain
173	221	InterPro	IPR019554	Soluble ligand binding domain
256	310	Pfam	PF10531	SLBB domain
256	310	InterPro	IPR019554	Soluble ligand binding domain
72	364	PANTHER	PTHR33619	POLYSACCHARIDE EXPORT PROTEIN GFCE-RELATED
5	27	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
27	378	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	9	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
82	165	Pfam	PF02563	Polysaccharide biosynthesis/export protein
82	165	InterPro	IPR003715	Polysaccharide export protein
89	169	Gene3D	G3DSA:3.30.1950.10	wza like domain
22	26	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
255	342	Gene3D	G3DSA:3.10.560.10	Outer membrane lipoprotein wza domain like
345	374	Pfam	PF18412	Outer-membrane lipoprotein Wza C-terminal domain
345	374	InterPro	IPR040716	Outer-membrane lipoprotein Wza, C-terminal domain
345	378	Gene3D	G3DSA:1.20.5.70	-
1	26	Phobius	SIGNAL_PEPTIDE	Signal peptide region
10	21	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	21	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.

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

0.02

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Surrounding area

Pocket 2 P2Rank #2

0.013

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Surrounding area

Pocket 3 P2Rank #3

0.012

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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 #4

0.714

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Surrounding area

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.017

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Surrounding area

Pocket 2 P2Rank #2

0.01

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Surrounding area

Pocket 3 P2Rank #3

0.003

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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_Q48450	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_5015	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.

16 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 3 records from similar proteins

Structural ligands 3 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 13 similarity-based ZINC candidates

Best available ligand signal

HEX PDB via homolog 86.2 Da · LogP 2.59 · TPSA 0.0 Open detail RCSB PDB

MTN PDB via homolog Detail RCSB PDB

OCT PDB via homolog Detail RCSB PDB

ZINC1545440 ZINC proposed compound · Tanimoto 0.538 Detail ZINC

ZINC1599570 ZINC proposed compound · Tanimoto 0.538 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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
HEX RCSB PDB	2J58	Q9X4B7	86.2 Da LogP 2.59 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCC`
MTN RCSB PDB	2W8H	Q9X4B7	264.4 Da LogP 1.82 TPSA 57.3	✓ Ro5	✓ Clean	`CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C`
OCT RCSB PDB	2J58	Q9X4B7	114.2 Da LogP 3.37 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCC`

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).

No ChEMBL hits found through similar proteins.

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
ZINC1545440 ZINC	0.538	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC1599570 ZINC	0.538	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)CCCCC`
ZINC1644076 ZINC	0.538	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCO`
ZINC1680803 ZINC	0.538	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCO`
ZINC195766643 ZINC	0.538	231.9 Da LogP 2.93 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCC[Sn+3]`
ZINC196468891 ZINC	0.538	261.0 Da LogP 3.91 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCC[Sn+2]CCCCC`
ZINC59144932 ZINC	0.538	202.4 Da LogP 4.84 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCS`
ZINC100027350 ZINC	0.500	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCNCCCCCCC`
ZINC1627284 ZINC	0.500	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCOCCCCCCC`
ZINC1699899 ZINC	0.500	202.4 Da LogP 4.88 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCSCCCCCC`
ZINC1724011 ZINC	0.500	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCNCCCCCCC`
ZINC2564179 ZINC	0.500	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCCCCC`
ZINC32164811 ZINC	0.500	213.4 Da LogP 4.47 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCN(CCCC)CCCCC`

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 Q48450