KpATCC43816 Protein target profile

universal stress protein with a role in resistance to UV irradiation

Accession: VK055_0975

Gene: AIK79598.1 ydaA 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GWU9

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Length 316

Pocket druggability (P2Rank · AlphaFold DB model) 0.586

Direct ligand evidence 0 53 total records

Functional annotation 0 EC 1 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Second pocket predictor agrees P2Rank predicted binding-site probability 0.59. Structure available AlphaFold DB model + ColabFold model 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: No hit
Gut microbiome similarity: 2.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 89.241 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 88.35 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) 0.586

Structure A0A0H3GWU9

Pocket Pocket 1

Druggability (FPocket) 0.311

Structure A0A0H3GWU9

Pocket Pocket 13

ColabFold model

P2Rank 0.634 · Pocket 1

FPocket 0.327 · Pocket 14

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 118 / 4744 genomes with a hit

Prevalence 2.5%

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.

MAKYQSMLVVIDPNQDDQPALRRAVYLHQRIGGRIKAFLPIYDFSYEMTTLLSPDERTAMRQGVIAQRTAWIREQAKFYLESGVPIDVKVVWHNRPFEAIIQEVVSEKHDLLLKMAHQHDKLEAVIFTPTDWHLLRKCPCPVWMVKDQPWPEGGKALVAVNLASEENYHNTLNEKLVRETLSLAEEVNHTEVHLIGAYPVTPINIAIELPDFDPSVYNDAIRGQHLLAMKALRQKFGIDEKFTHVEKGLPEEVIPDLAEHLQAGIVVLGTVGRTGLSAAFLGNTAEQVVDHLRCDLLVLKPEAYQTPVELDDDDDD

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
1	315	FunFam	G3DSA:3.40.50.12370:FF:000001	Universal stress protein E
4	155	SUPERFAMILY	SSF52402	Adenine nucleotide alpha hydrolases-like
1	313	PANTHER	PTHR47892	UNIVERSAL STRESS PROTEIN E
4	146	Pfam	PF00582	Universal stress protein family
4	146	InterPro	IPR006016	UspA
174	300	Pfam	PF00582	Universal stress protein family
174	300	InterPro	IPR006016	UspA
1	315	Gene3D	G3DSA:3.40.50.12370	-
155	307	SUPERFAMILY	SSF52402	Adenine nucleotide alpha hydrolases-like
7	145	CDD	cd00293	USP_Like
157	298	CDD	cd00293	USP_Like

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

0.586

Likely same site as FPocket 13 1.1 Å 21 shared residues 95% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.175

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Surrounding area

Pocket 3 P2Rank #3

0.146

Likely same site as FPocket 5 1.3 Å 8 shared residues 100% of smaller site

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Surrounding area

Pocket 4 P2Rank #4

0.137

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Surrounding area

Pocket 5 P2Rank #5

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 #13

0.311 Unusual size

Likely same site as P2Rank 1 1.1 Å 21 shared residues 95% of smaller site

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Surrounding area

Pocket 2 FPocket #5

0.275

Likely same site as P2Rank 3 1.3 Å 8 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

0.634

Likely same site as FPocket 14 0.8 Å 19 shared residues 95% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.25

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Surrounding area

Pocket 3 P2Rank #3

0.225

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Surrounding area

Pocket 4 P2Rank #4

0.036

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Surrounding area

Pocket 5 P2Rank #5

0.004

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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_A0A0H3GWU9	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_0975	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.

53 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 50 similarity-based ZINC candidates

Best available ligand signal

OXD PDB via homolog 90.0 Da · LogP -0.84 · TPSA 74.6 Open detail RCSB PDB

U20 PDB via homolog Detail RCSB PDB

Z6X PDB via homolog Detail RCSB PDB

ZINC116852907 ZINC proposed compound · Tanimoto 0.773 Detail ZINC

ZINC138457918 ZINC proposed compound · Tanimoto 0.708 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
OXD RCSB PDB	4R2K	Q8ZP84	90.0 Da LogP -0.84 TPSA 74.6	✓ Ro5	✓ Clean	`C(=O)(C(=O)O)O`
U20 RCSB PDB	4WY2	B4ETT2	833.7 Da LogP -0.43 TPSA 332.2	3 viol.	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@…`
Z6X RCSB PDB	5CB0	P0AAC0	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=O)O`

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
ZINC116852907 ZINC	0.773	240.4 Da LogP 4.46 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)CCCCCC`
ZINC138457918 ZINC	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029 ZINC	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054 ZINC	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828 ZINC	0.708	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076 ZINC	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082 ZINC	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083 ZINC	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670 ZINC	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203 ZINC	0.708	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005 ZINC	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089 ZINC	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283 ZINC	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC3160730 ZINC	0.680	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCC(=O)O`
ZINC4582907 ZINC	0.680	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCC(=O)O`
ZINC4727003 ZINC	0.680	312.4 Da LogP 4.69 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O`
ZINC59545317 ZINC	0.680	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCC(=O)O`
ZINC59545320 ZINC	0.680	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CCC(=O)O`
ZINC59545336 ZINC	0.680	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCC(=O)O`
ZINC86037074 ZINC	0.680	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CCCC(=O)O`
ZINC2378801 ZINC	0.667	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC1529498 ZINC	0.652	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417 ZINC	0.652	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1606037 ZINC	0.652	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCC`
ZINC1628119 ZINC	0.652	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC2113934081 ZINC	0.640	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2243668 ZINC	0.640	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2378799 ZINC	0.640	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC33820423 ZINC	0.640	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC100061492 ZINC	0.630	284.4 Da LogP 4.82 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)CC(=O)OC`
ZINC2575220 ZINC	0.630	200.3 Da LogP 2.48 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CC(=O)OC`
ZINC2575222 ZINC	0.630	228.3 Da LogP 3.26 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CC(=O)OC`
ZINC72400066 ZINC	0.630	256.4 Da LogP 4.04 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=O)OC`
ZINC1606025 ZINC	0.625	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCC`
ZINC1606038 ZINC	0.625	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC`
ZINC100292651 ZINC	0.607	224.2 Da LogP 3.05 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)C(F)(F)F`
ZINC101449435 ZINC	0.586	242.4 Da LogP 3.65 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CC(=O)OCC`
ZINC103653302 ZINC	0.586	270.4 Da LogP 4.43 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=O)OCC`
ZINC136542401 ZINC	0.586	256.4 Da LogP 4.04 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CC(=O)OCC`
ZINC138788527 ZINC	0.586	228.3 Da LogP 3.26 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CC(=O)OCC`
ZINC141134875 ZINC	0.586	284.4 Da LogP 4.82 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CC(=O)OCC`
ZINC1688197 ZINC	0.586	200.3 Da LogP 2.48 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)OCC`
ZINC97971808 ZINC	0.586	214.3 Da LogP 2.87 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CC(=O)OCC`
ZINC2113934089 ZINC	0.577	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2378809 ZINC	0.577	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCC(=O)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 A0A0H3GWU9