KpATCC43816 Protein target profile

cytochrome o ubiquinol oxidase subunit IV

Accession: VK055_2163

Gene: AIK80768.1 cyoD 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GSQ5

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Length 109

Pocket druggability (P2Rank · AlphaFold DB model) 0.005

Direct ligand evidence 0 54 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: 2.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 86.239 Higher values support similarity to known essential genes.
DEG E-value: 4.13e-64 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 85.08 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) 0.005

Structure A0A0H3GSQ5

Pocket Pocket 1

Druggability (FPocket) 0.922

Structure A0A0H3GSQ5

Pocket Pocket 1

ColabFold model

FPocket 0.524 · Pocket 4

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 139 / 4744 genomes with a hit

Prevalence 2.9%

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.

MSHSTDHSGASHGSVKSYMTGFILSIILTVIPFAMVMSGSASHAVILGTILVTAVVQIVVHLVYFLHMNSKSDEGWNLTAFIFTVIIIAIVVVGSIWIMWNLNYNMMMH

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 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:0009486 Catalysis of the reaction: 2 ubiquinol + O2 + 4 H+ = 2 ubiquinone + 2 H2O + 4 H+ [periplasmic space].
GO:0015990 The transport of protons against an electrochemical gradient, using energy from electron transport.
GO:0009319 A protein complex that possesses cytochrome o ubiquinol oxidase activity; consists of four polypeptide subunits and associated prosthetic groups.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0015078 Enables the transfer of a proton from one side of a membrane to the other.
GO:0019646 A process in which a series of electron carriers operate together to transfer electrons from donors such as NADH and FADH2 to oxygen to generate a transmembrane electrochemical gradient.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
101	109	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
18	37	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
44	66	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
76	98	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	109	PANTHER	PTHR36835	CYTOCHROME BO(3) UBIQUINOL OXIDASE SUBUNIT 4
78	100	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	107	NCBIfam	TIGR02847	cytochrome o ubiquinol oxidase subunit IV
12	107	InterPro	IPR014210	Cytochrome o ubiquinol oxidase subunit IV
38	43	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
44	66	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
15	37	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
20	92	Pfam	PF03626	Prokaryotic Cytochrome C oxidase subunit IV
20	92	InterPro	IPR005171	Cytochrome C oxidase subunit IV, prokaryotes
67	77	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	17	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular 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

0.005

Show in viewer

Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1

0.922

Show in viewer

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_A0A0H3GSQ5	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_2163	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.

54 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 4 records from similar proteins

Structural ligands 4 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

3PE PDB via homolog 748.1 Da · LogP 12.06 · TPSA 134.4 Open detail RCSB PDB

HEO PDB via homolog Detail RCSB PDB

U9V PDB via homolog Detail RCSB PDB

UQ8 PDB via homolog Detail RCSB PDB

ZINC102190506 ZINC proposed compound · Tanimoto 1.000 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
3PE RCSB PDB	6WTI	P0ABJ6	748.1 Da LogP 12.06 TPSA 134.4	2 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC…`
HEO RCSB PDB	6WTI	P0ABJ6	838.9 Da LogP 8.07 TPSA 110.7	2 viol.	✓ Clean	`Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)…`
U9V RCSB PDB	6WTI	P0ABJ6	524.9 Da LogP 10.65 TPSA 52.6	2 viol.	✓ Clean	`CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC`
UQ8 RCSB PDB	6WTI	P0ABJ6	727.1 Da LogP 14.40 TPSA 52.6	2 viol.	Alert	`CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC…`

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
ZINC102190506 ZINC	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CC…`
ZINC102190512 ZINC	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)C…`
ZINC17654239 ZINC	1.000	314.5 Da LogP 4.79 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCOC(=O)CCCCCCC`
ZINC27416437 ZINC	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCC`
ZINC33902364 ZINC	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC…`
ZINC1532641 ZINC	0.972	318.4 Da LogP 4.04 TPSA 52.6	✓ Ro5	Alert	`COC1=C(OC)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O`
ZINC4691823 ZINC	0.952	258.4 Da LogP 3.23 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCCC(=O)OCCOC(=O)CCCCC`
ZINC100302690 ZINC	0.875	258.4 Da LogP 4.10 TPSA 35.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OCCOC`
ZINC101034896 ZINC	0.875	402.6 Da LogP 4.83 TPSA 71.1	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC`
ZINC206748657 ZINC	0.875	374.5 Da LogP 4.05 TPSA 71.1	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC`
ZINC218215426 ZINC	0.875	402.6 Da LogP 4.83 TPSA 71.1	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC`
ZINC1608549 ZINC	0.870	200.3 Da LogP 3.69 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCCC`
ZINC1608718 ZINC	0.870	214.3 Da LogP 4.08 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCCCC`
ZINC1615264 ZINC	0.870	214.3 Da LogP 4.08 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCOC(=O)CCCCC`
ZINC1677794 ZINC	0.870	200.3 Da LogP 3.69 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCC(=O)OCCCCC`
ZINC1684740 ZINC	0.870	200.3 Da LogP 3.69 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCOC(=O)CCCCC`
ZINC1684760 ZINC	0.870	228.4 Da LogP 4.47 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)CCCCC`
ZINC1845930 ZINC	0.870	228.4 Da LogP 4.47 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCOC(=O)CCCCCC`
ZINC2034460 ZINC	0.870	228.4 Da LogP 4.47 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCCCC`
ZINC2039906 ZINC	0.870	228.4 Da LogP 4.47 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCCCCCC`
ZINC2516185 ZINC	0.870	214.3 Da LogP 4.08 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCCC`
ZINC32147174 ZINC	0.870	214.3 Da LogP 4.08 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCOC(=O)CCCCCC`
ZINC3875771 ZINC	0.870	314.5 Da LogP 4.79 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCCCOC(=O)CCCCC(=O)OCCCCCC`
ZINC85590383 ZINC	0.870	242.4 Da LogP 4.86 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OCCC`
ZINC85936592 ZINC	0.870	242.4 Da LogP 4.86 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCCCCC`
ZINC86022556 ZINC	0.870	242.4 Da LogP 4.86 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCOC(=O)CCCCCCC`
ZINC5820125 ZINC	0.833	346.5 Da LogP 3.27 TPSA 71.1	✓ Ro5	✓ Clean	`CCCCCC(=O)OCCOCCOCCOC(=O)CCCCC`
ZINC3875764 ZINC	0.826	314.5 Da LogP 4.79 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCOC(=O)CCCCCCCCC(=O)OCCCC`
ZINC4100226 ZINC	0.826	300.4 Da LogP 4.40 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCOC(=O)CCCCCCCC(=O)OCCCC`
ZINC4410479 ZINC	0.826	286.4 Da LogP 4.01 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCCC(=O)OCCCCOC(=O)CCCCC`
ZINC4721921 ZINC	0.826	272.4 Da LogP 3.62 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCOC(=O)CCCCCC(=O)OCCCC`
ZINC1848564 ZINC	0.808	230.3 Da LogP 3.32 TPSA 35.5	✓ Ro5	✓ Clean	`CCCCCCC(=O)OCCOCCCC`
ZINC4429686 ZINC	0.808	274.4 Da LogP 3.33 TPSA 44.8	✓ Ro5	✓ Clean	`CCCCCCC(=O)OCCOCCOCCCC`
ZINC100036663 ZINC	0.800	272.4 Da LogP 4.22 TPSA 46.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)OCCO`
ZINC138343271 ZINC	0.800	230.3 Da LogP 3.05 TPSA 46.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)OCCO`
ZINC77871962 ZINC	0.800	244.4 Da LogP 3.44 TPSA 46.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OCCO`
ZINC78062261 ZINC	0.800	243.4 Da LogP 3.41 TPSA 52.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OCCN`
ZINC104333637 ZINC	0.792	242.4 Da LogP 4.86 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCCOC(=O)CCCC`
ZINC1584002 ZINC	0.792	200.3 Da LogP 3.69 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCOC(=O)CCCC`
ZINC1584009 ZINC	0.792	214.3 Da LogP 4.08 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCOC(=O)CCCC`
ZINC1682726 ZINC	0.783	244.3 Da LogP 2.84 TPSA 52.6	✓ Ro5	✓ Clean	`CCCOC(=O)CCCCCC(=O)OCCC`
ZINC3875751 ZINC	0.783	258.4 Da LogP 3.23 TPSA 52.6	✓ Ro5	✓ Clean	`CCCCOC(=O)CCCCC(=O)OCCCC`
ZINC4722486 ZINC	0.783	272.4 Da LogP 3.62 TPSA 52.6	✓ Ro5	✓ Clean	`CCCOC(=O)CCCCCCCC(=O)OCCC`
ZINC13544781 ZINC	0.771	482.6 Da LogP 4.22 TPSA 108.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C…`
ZINC13544783 ZINC	0.771	482.6 Da LogP 4.22 TPSA 108.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)…`
ZINC100300463 ZINC	0.769	232.4 Da LogP 3.60 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCCS`
ZINC1566534 ZINC	0.769	216.3 Da LogP 2.93 TPSA 35.5	✓ Ro5	✓ Clean	`CCCCCC(=O)OCCOCCCC`
ZINC4430035 ZINC	0.769	260.4 Da LogP 2.94 TPSA 44.8	✓ Ro5	✓ Clean	`CCCCCC(=O)OCCOCCOCCCC`
ZINC4977298 ZINC	0.769	402.6 Da LogP 4.83 TPSA 71.1	✓ Ro5	✓ Clean	`CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC`
ZINC1648324 ZINC	0.750	200.3 Da LogP 3.69 TPSA 26.3	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OCC`

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 A0A0H3GSQ5