KpATCC43816 Protein target profile

SMP-30/Gluconolaconase/LRE-like region family protein

Accession: VK055_3487

Gene: AIK82043.1 3D evidence: ColabFold model Metabolism Not in network

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Length 298

Pocket druggability (P2Rank · ColabFold model) 0.673

Direct ligand evidence 0 55 total records

Functional annotation 0 EC 0 GO

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

Second pocket predictor agrees P2Rank predicted binding-site probability 0.67. Structure available ColabFold model Ligand evidence via structure/bioactivity 5 structural and 0 bioactivity records.

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 (%): 25.725 Lower values reduce human off-target concern.
Human E-value: 1.71e-10
Gut microbiome similarity: 0.3% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 0.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 97.17 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

ColabFold / curated 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) 0.673

Structure CB_VK055_3487

Pocket Pocket 1

Druggability (FPocket) 0.314

Structure CB_VK055_3487

Pocket Pocket 14

ColabFold model

P2Rank 0.673 · Pocket 1

FPocket 0.314 · Pocket 14

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 13 / 4744 genomes with a hit

Prevalence 0.3%

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.

MAVDDSFRRYMLASAKVERIASGFRWAEGPVWFGDMRMLLWSDIPNNAIMRWDEVSGETSVFRYPANYSNGHARDRQGRLISCEHDTRRITRTEYDGSVTVLADSYQGHRLNSPNDIVVKSDGTIWFTDPPFGISGFYEGHKATSELPQNVYCLEPESRKLSVVLGDVKGPNGLCFSPDEKTLCVVESRATPNRLILAWDVEGNTLKNKRVYLDCGNGTADGIACDADGNLWCGWGSGNEELDGVRIFNPQGKHIGTIKLPERCANLCFGGEQRNRLFMASSTSIYSLYVNAQGAKLI

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

Subcellular localization

Localization: Unknown

No GO or EC annotations are currently loaded for this protein.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
1	297	Gene3D	G3DSA:2.120.10.30	-
1	297	InterPro	IPR011042	Six-bladed beta-propeller, TolB-like
264	282	PRINTS	PR01790	Senescence marker protein-30 (SMP30) family signature
264	282	InterPro	IPR005511	Senescence marker protein-30 (SMP-30)
219	236	PRINTS	PR01790	Senescence marker protein-30 (SMP30) family signature
219	236	InterPro	IPR005511	Senescence marker protein-30 (SMP-30)
157	179	PRINTS	PR01790	Senescence marker protein-30 (SMP30) family signature
157	179	InterPro	IPR005511	Senescence marker protein-30 (SMP-30)
27	44	PRINTS	PR01790	Senescence marker protein-30 (SMP30) family signature
27	44	InterPro	IPR005511	Senescence marker protein-30 (SMP-30)
26	282	Pfam	PF08450	SMP-30/Gluconolactonase/LRE-like region
26	282	InterPro	IPR013658	SMP-30/Gluconolactonase/LRE-like region
3	295	SUPERFAMILY	SSF63829	Calcium-dependent phosphotriesterase
3	296	PANTHER	PTHR47572	LIPOPROTEIN-RELATED

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

0.673

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Surrounding area

Pocket 2 P2Rank #2

0.549

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Surrounding area

Pocket 3 P2Rank #3

0.343

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Surrounding area

Pocket 4 P2Rank #4

0.171

Likely same site as FPocket 2 0.4 Å 10 shared residues 100% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.108

Likely same site as FPocket 14 0.9 Å 11 shared residues 100% of smaller site

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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 #14

0.314

Likely same site as P2Rank 5 0.9 Å 11 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #2

0.232

Likely same site as P2Rank 4 0.4 Å 10 shared residues 100% of smaller site

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Surrounding area

All structural evidence 0 experimental · 1 predicted

Structural evidence

0 + 1

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
ColabFold VK055_3487	ColabFold	—	—	full sequence	—	Viewing

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.

55 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 5 records from similar proteins

Structural ligands 5 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

DI9 PDB via homolog 233.2 Da · LogP 2.97 · TPSA 61.5 Open detail RCSB PDB

DXE PDB via homolog Detail RCSB PDB

ME2 PDB via homolog Detail RCSB PDB

MXE PDB via homolog Detail RCSB PDB

XDA PDB via homolog Detail RCSB PDB

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
DI9 RCSB PDB	2GVV	Q7SIG4	233.2 Da LogP 2.97 TPSA 61.5	✓ Ro5	✓ Clean	`C1CCC(C1)OP(=O)(N)OC2CCCC2`
DXE RCSB PDB	1PJX	Q7SIG4	90.1 Da LogP 0.28 TPSA 18.5	✓ Ro5	✓ Clean	`COCCOC`
ME2 RCSB PDB	1PJX	Q7SIG4	148.2 Da LogP 0.69 TPSA 27.7	✓ Ro5	✓ Clean	`CCOCCOCCOC`
MXE RCSB PDB	1PJX	Q7SIG4	76.1 Da LogP -0.37 TPSA 29.5	✓ Ro5	✓ Clean	`COCCO`
XDA RCSB PDB	4O5T	Q7SIG4	469.4 Da LogP 1.17 TPSA 154.5	✓ Ro5	✓ Clean	`CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(…`

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
ZINC1692489 ZINC	0.733	222.3 Da LogP 0.33 TPSA 46.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOC`
ZINC4530388 ZINC	0.733	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5701172 ZINC	0.733	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5859031 ZINC	0.733	294.4 Da LogP 1.13 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCC`
ZINC5997861 ZINC	0.733	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`
ZINC34764844 ZINC	0.667	206.3 Da LogP 1.09 TPSA 36.9	✓ Ro5	✓ Clean	`CCCOCCOCCOCCOC`
ZINC1580161 ZINC	0.647	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118 ZINC	0.647	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257 ZINC	0.647	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC34317654 ZINC	0.647	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC44076059 ZINC	0.647	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5210101 ZINC	0.647	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5997860 ZINC	0.647	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC4974293 ZINC	0.611	280.4 Da LogP 1.08 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCOCCOCCOCC`
ZINC113456917 ZINC	0.600	220.3 Da LogP 1.48 TPSA 36.9	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCOC`
ZINC218810670 ZINC	0.600	308.4 Da LogP 1.52 TPSA 55.4	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCOCCOCCOC`
ZINC34303570 ZINC	0.600	264.4 Da LogP 1.50 TPSA 46.2	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCOCCOC`
ZINC195766091 ZINC	0.571	236.1 Da LogP -0.04 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOB(OCCOC)OCCOC`
ZINC4758810 ZINC	0.571	312.4 Da LogP 0.25 TPSA 73.8	✓ Ro5	✓ Clean	`COCCOC(OCCOC)(OCCOC)OCCOC`
ZINC140264883 ZINC	0.550	223.3 Da LogP -0.43 TPSA 72.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCON`
ZINC143705779 ZINC	0.550	443.5 Da LogP -0.34 TPSA 118.3	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCON`
ZINC33358855 ZINC	0.550	207.3 Da LogP -0.36 TPSA 62.9	✓ Ro5	✓ Clean	`COCCOCCOCCOCCN`
ZINC44583772 ZINC	0.550	356.5 Da LogP 0.66 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCS`
ZINC5024003 ZINC	0.550	251.3 Da LogP -0.34 TPSA 72.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCN`
ZINC5650743 ZINC	0.550	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC575432090 ZINC	0.550	355.4 Da LogP -0.38 TPSA 99.9	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCON`
ZINC575432265 ZINC	0.550	399.5 Da LogP -0.36 TPSA 109.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCON`
ZINC6403917 ZINC	0.550	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC71254558 ZINC	0.550	444.6 Da LogP 0.70 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC71254563 ZINC	0.550	488.6 Da LogP 0.71 TPSA 92.3	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC80685077 ZINC	0.550	427.5 Da LogP -0.28 TPSA 109.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCN`
ZINC83253927 ZINC	0.550	400.5 Da LogP 0.68 TPSA 73.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC83253930 ZINC	0.550	224.3 Da LogP 0.61 TPSA 36.9	✓ Ro5	✓ Clean	`COCCOCCOCCOCCS`
ZINC83253936 ZINC	0.550	383.5 Da LogP -0.29 TPSA 99.9	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCN`
ZINC90556279 ZINC	0.550	295.4 Da LogP -0.33 TPSA 81.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCN`
ZINC90556280 ZINC	0.550	339.4 Da LogP -0.31 TPSA 90.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCN`
ZINC90556286 ZINC	0.550	312.4 Da LogP 0.65 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCS`
ZINC90556287 ZINC	0.550	268.4 Da LogP 0.63 TPSA 46.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCS`
ZINC96503353 ZINC	0.550	471.6 Da LogP -0.26 TPSA 118.3	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN`
ZINC4787572 ZINC	0.545	248.3 Da LogP 1.23 TPSA 46.2	✓ Ro5	✓ Clean	`C=COCCOCCOCCOCCOCC`
ZINC1682738 ZINC	0.533	206.2 Da LogP -0.63 TPSA 71.1	✓ Ro5	✓ Clean	`COCCOC(=O)C(=O)OCCOC`
ZINC146934560 ZINC	0.524	397.5 Da LogP -0.03 TPSA 85.9	✓ Ro5	✓ Clean	`COCCOCCOCCOCCNCCOCCOCCOCCOC`
ZINC16688007 ZINC	0.524	446.8 Da LogP 4.03 TPSA 36.9	✓ Ro5	✓ Clean	`CCOCCOCCSCCSCCSCCSCCOCCOCC`
ZINC33506597 ZINC	0.524	309.4 Da LogP -0.06 TPSA 67.4	✓ Ro5	✓ Clean	`COCCOCCOCCNCCOCCOCCOC`
ZINC3860567 ZINC	0.524	323.4 Da LogP 0.28 TPSA 58.6	✓ Ro5	✓ Clean	`COCCOCCN(CCOCCOC)CCOCCOC`
ZINC5701149 ZINC	0.524	221.3 Da LogP -0.10 TPSA 49.0	✓ Ro5	✓ Clean	`COCCOCCNCCOCCOC`
ZINC258818797 ZINC	0.520	372.4 Da LogP 1.97 TPSA 81.7	✓ Ro5	✓ Clean	`CCOP(=O)(CCOCCOCCOCCOCCOC)OCC`
ZINC575410952 ZINC	0.520	328.3 Da LogP 1.95 TPSA 72.5	✓ Ro5	✓ Clean	`CCOP(=O)(CCOCCOCCOCCOC)OCC`
ZINC95100045 ZINC	0.520	284.3 Da LogP 1.93 TPSA 63.2	✓ Ro5	✓ Clean	`CCOP(=O)(CCOCCOCCOC)OCC`
ZINC136908049 ZINC	0.500	220.3 Da LogP 1.48 TPSA 36.9	✓ Ro5	✓ Clean	`COCCCOCCCOCCCOC`

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.