KpATCC43816 Protein target profile

putative carrier/transport protein substrate/modulator of FtsH-mediated proteolysis

Accession: VK055_1486

Gene: AIK80106.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GQU6

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Length 219

Pocket druggability (P2Rank · AlphaFold DB model) 0.771

Direct ligand evidence 0 14 total records

Functional annotation 0 EC 3 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

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.77, FPocket 0.70). Use the 3D pocket comparison to verify whether they identify the same site. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.70. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.77. Review the complete evidence below

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: Hit
Human identity (%): 30.263 Lower values reduce human off-target concern.
Human E-value: 3.14e-06
Gut microbiome similarity: 2.6% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 53.182 Higher values support similarity to known essential genes.
DEG E-value: 2.65e-67 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 87.94 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) 0.771

Structure A0A0H3GQU6

Pocket Pocket 1

Druggability (FPocket) 0.704

Structure A0A0H3GQU6

Pocket Pocket 2

ColabFold model

P2Rank 0.85 · Pocket 1

FPocket 0.908 · Pocket 2

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 121 / 4744 genomes with a hit

Prevalence 2.6%

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.

MDRIITSSRDRSSLLSTHKVLRNTYFLLSLTLAFSAITATASTVLMLPSPGLILTLVGMYGLMFLTYKTANKPTGIISAFAFTGFLGYILGPMLNAYLSAGMGDLIGLALGGTALVFFCCSAYVLTTRKDMSFLGGMLMAGVVVVLIGMVANLFLQLPALHLAISAVFILISSGAILFETSNIIRGGETNYIRATVSLYVSLYNIFVSLLSILGFASRD

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: CytoplasmicMembrane

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0043066 Any process that stops, prevents, or reduces the frequency, rate or extent of cell death by apoptotic process.
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.

29 records

Show feature table

Start	End	DB	Term	Name
68	78	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
185	195	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
100	104	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
18	215	PANTHER	PTHR23291	BAX INHIBITOR-RELATED
18	215	InterPro	IPR006214	Bax inhibitor 1-related
127	132	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
45	67	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
160	184	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
87	117	ProSitePatterns	PS01243	Bax inhibitor-1 family signature.
87	117	InterPro	IPR006213	Bax inhibitor 1, conserved site
79	99	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
74	96	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
42	46	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
196	216	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
105	126	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
159	181	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
217	219	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
194	216	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
132	154	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
17	217	CDD	cd10433	YccA_like
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
47	67	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
20	41	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
155	159	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
19	213	Pfam	PF01027	Inhibitor of apoptosis-promoting Bax1
19	213	InterPro	IPR006214	Bax inhibitor 1-related
21	40	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
133	154	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
106	125	TMHMM	TMhelix	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 · P2Rank

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

Pocket 1 P2Rank #1

0.771

Likely same site as FPocket 2 1.8 Å 15 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.504

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Surrounding area

Pocket 3 P2Rank #3

0.193

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Surrounding area

Pocket 4 P2Rank #4

0.05

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Surrounding area

Pocket 5 P2Rank #5

0.048

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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 #2

0.704

Likely same site as P2Rank 1 1.8 Å 15 shared residues 100% of smaller site

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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

0.85

Likely same site as FPocket 1 1.5 Å 14 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.459

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Surrounding area

Pocket 3 P2Rank #3

0.174

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Surrounding area

Pocket 4 P2Rank #4

0.125

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Surrounding area

Pocket 5 P2Rank #5

0.031

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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 #2

0.908 Unusual size

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Surrounding area

Pocket 2 FPocket #1

0.639

Likely same site as P2Rank 1 1.5 Å 14 shared residues 100% of smaller site

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Surrounding area

Pocket 3 FPocket #4

0.354

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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_A0A0H3GQU6	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1486	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.

14 records

Chemistry signal

Bioactivity evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 5 records from similar proteins

Structural ligands 0 0 loaded crystals

Measured bioactivity 5 direct and transferred ChEMBL records

Proposed compounds 9 similarity-based ZINC candidates

Best available ligand signal

CHEMBL4282466 ChEMBL via homolog 546.7 Da · LogP 4.40 · TPSA 124.3 Open detail ChEMBL

CHEMBL5590853 ChEMBL via homolog Detail ChEMBL

CHEMBL5591567 ChEMBL via homolog Detail ChEMBL

CHEMBL5591937 ChEMBL via homolog Detail ChEMBL

CHEMBL5593128 ChEMBL via homolog Detail ChEMBL

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
CHEMBL4282466 ChEMBL	P55061	—	546.7 Da LogP 4.40 TPSA 124.3	1 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5590853 ChEMBL	P55061	—	709.9 Da LogP 6.10 TPSA 167.1	2 viol.	✓ Clean	`C#CCCC1(CCNC(=O)O[C@H]2C(C)=C[C@]34C(=O)[C@@H](…`
CHEMBL5591567 ChEMBL	P55061	—	631.9 Da LogP 5.55 TPSA 142.4	2 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5591937 ChEMBL	P55061	—	845.0 Da LogP 7.95 TPSA 222.7	3 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5593128 ChEMBL	P55061	—	668.8 Da LogP 6.41 TPSA 130.4	2 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`

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
ZINC205730915 ZINC	0.614	446.6 Da LogP 2.95 TPSA 104.1	✓ Ro5	✓ Clean	`CCCCCC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO…`
ZINC13827723 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]2(O)[…`
ZINC13827726 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O…`
ZINC2008899 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@@]2(O…`
ZINC253590327 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC253590331 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC253590333 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC27652832 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)…`
ZINC968425 ZINC	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`

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 A0A0H3GQU6

Chemistry

ChEMBL CHEMBL4282466 ChEMBL CHEMBL5590853 ChEMBL CHEMBL5591567 ChEMBL CHEMBL5591937 ChEMBL CHEMBL5593128