KpKP13 Protein target profile

Acetolactate synthase isozyme 1 small subunit

Accession: KP13_00082

Gene: AHE42007.1 ilvN 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GYZ5
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Length 95
Pocket druggability (P2Rank · AlphaFold DB model) 0.061
Direct ligand evidence 0 50 total records
Functional annotation 1 EC 6 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

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. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 96 of 4744 screened genomes (2.0%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.22. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.06. Only proposed compounds 50 ZINC similarity-based candidates, no stronger ligand evidence.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.
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
2.0% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
40.58 Higher values support similarity to known essential genes.
DEG E-value
1.69e-10 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
85.34 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) 0.061
Structure A0A0H3GYZ5
Pocket Pocket 1
Druggability (FPocket) 0.222
Structure A0A0H3GYZ5
Pocket Pocket 3
ColabFold model
P2Rank 0.004 · Pocket 1
FPocket 0.257 · Pocket 4
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 96 / 4744 genomes with a hit
Prevalence 2.0%

Sequence

Primary amino-acid sequence viewer.

MQKQCDNVILELTVRNHPGVMTHVCGLFARRAFNVEGILCLPIQGSEHSRIWLLVNDDQRLGQMISQIEKLEDVTKVARNQSDPTMFNKIAVFFE

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Subcellular localization

Localization
Unknown

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:1990610 Binds to and modulates the activity of acetolactate synthase.
  • GO:0009082 The chemical reactions and pathways resulting in the formation of amino acids containing a branched carbon skeleton, comprising isoleucine, leucine and valine.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0003984 Catalysis of the reaction: H+ + 2 pyruvate = (2S)-2-acetolactate + CO2. Can also convert 2-oxobutanoate and pyruvate to (S)-2-ethyl-2-hydroxy-3-oxobutanoate.
  • GO:0009097 OBSOLETE. The chemical reactions and pathways resulting in the formation of isoleucine, (2R*,3R*)-2-amino-3-methylpentanoic acid.
  • GO:0009099 The chemical reactions and pathways resulting in the formation of valine, 2-amino-3-methylbutanoic acid.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

11 records
Show feature table
Start End DB Term Name
3 85 PANTHER PTHR30239 ACETOLACTATE SYNTHASE SMALL SUBUNIT
3 85 InterPro IPR004789 Acetolactate synthase, small subunit
1 95 FunFam G3DSA:3.30.70.260:FF:000011 Acetolactate synthase isozyme 1 small subunit
8 79 SUPERFAMILY SSF55021 ACT-like
8 79 InterPro IPR045865 ACT-like domain
9 77 CDD cd04878 ACT_AHAS
9 77 InterPro IPR039557 AHAS, ACT domain
1 95 Gene3D G3DSA:3.30.70.260 -
17 77 Pfam PF13710 ACT domain
9 82 ProSiteProfiles PS51671 ACT domain profile.
9 82 InterPro IPR002912 ACT domain

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
0.061
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.014
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #3
0.222
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_A0A0H3GYZ5
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00082
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.

50 records
Chemistry signal

Only proposed virtual-screening candidates are available for this target.

Direct evidence 0 same-protein records
Transferred evidence 0 records from similar proteins
Structural ligands 0 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
ZINC2384798 ZINC proposed compound Tanimoto 0.607 202.3 Da · LogP -0.05 · TPSA 92.4 Open detail ZINC
ZINC2391059 ZINC proposed compound · Tanimoto 0.586 Detail ZINC
ZINC40472549 ZINC proposed compound · Tanimoto 0.586 Detail ZINC
ZINC40490721 ZINC proposed compound · Tanimoto 0.586 Detail ZINC
ZINC5909388 ZINC proposed compound · Tanimoto 0.586 Detail ZINC

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Show only:
Ligand Tanimoto MW · LogP · TPSA Lipinski PAINS SMILES
ZINC2384798 ZINC 0.607 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)O
ZINC2391059 ZINC 0.586 244.3 Da LogP 0.98 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC
ZINC40472549 ZINC 0.586 244.3 Da LogP 0.98 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)…
ZINC40490721 ZINC 0.586 244.3 Da LogP 0.98 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O…
ZINC5909388 ZINC 0.586 244.3 Da LogP 0.98 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)O
ZINC4899467 ZINC 0.567 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
ZINC5662848 ZINC 0.567 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
ZINC5662849 ZINC 0.567 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C
ZINC5662850 ZINC 0.567 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C
ZINC64219359 ZINC 0.565 202.3 Da LogP -0.41 TPSA 106.4 ✓ Ro5 ✓ Clean CC(C)[C@H](C(=O)[C@@H](C)N)[C@H](N)C(=O)O
ZINC64219360 ZINC 0.565 202.3 Da LogP -0.41 TPSA 106.4 ✓ Ro5 ✓ Clean CC(C)[C@@H](C(=O)[C@@H](C)N)[C@H](N)C(=O)O
ZINC79670384 ZINC 0.565 202.3 Da LogP -0.41 TPSA 106.4 ✓ Ro5 ✓ Clean CC(C)[C@@H](C(=O)[C@H](C)N)[C@H](N)C(=O)O
ZINC79670387 ZINC 0.565 202.3 Da LogP -0.41 TPSA 106.4 ✓ Ro5 ✓ Clean CC(C)[C@H](C(=O)[C@H](C)N)[C@H](N)C(=O)O
ZINC255963942 ZINC 0.548 357.5 Da LogP 1.51 TPSA 121.5 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…
ZINC255963943 ZINC 0.548 357.5 Da LogP 1.51 TPSA 121.5 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…
ZINC2560984 ZINC 0.548 246.3 Da LogP -0.60 TPSA 129.7 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
ZINC2575119 ZINC 0.548 218.3 Da LogP -1.08 TPSA 112.7 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O
ZINC39831468 ZINC 0.548 357.5 Da LogP 1.51 TPSA 121.5 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…
ZINC4762961 ZINC 0.548 357.5 Da LogP 1.51 TPSA 121.5 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…
ZINC13529436 ZINC 0.533 212.3 Da LogP 1.76 TPSA 46.3 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N1CCCCCC1
ZINC19502834 ZINC 0.533 212.3 Da LogP 1.76 TPSA 46.3 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)N1CCCCCC1
ZINC19502836 ZINC 0.533 212.3 Da LogP 1.76 TPSA 46.3 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](N)C(=O)N1CCCCCC1
ZINC19502838 ZINC 0.533 212.3 Da LogP 1.76 TPSA 46.3 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](N)C(=O)N1CCCCCC1
ZINC13508097 ZINC 0.531 234.3 Da LogP -0.14 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)O
ZINC2556613 ZINC 0.531 244.3 Da LogP 0.98 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O
ZINC1848346 ZINC 0.520 216.3 Da LogP 0.20 TPSA 92.4 ✓ Ro5 ✓ Clean CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
ZINC1848348 ZINC 0.520 216.3 Da LogP 0.20 TPSA 92.4 ✓ Ro5 ✓ Clean CC(C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)O
ZINC1848350 ZINC 0.520 216.3 Da LogP 0.20 TPSA 92.4 ✓ Ro5 ✓ Clean CC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C
ZINC1848352 ZINC 0.520 216.3 Da LogP 0.20 TPSA 92.4 ✓ Ro5 ✓ Clean CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)C(C)C
ZINC11959312 ZINC 0.516 213.3 Da LogP 0.13 TPSA 49.6 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](N)C(=O)N1CCN(C)CC1
ZINC11959315 ZINC 0.516 213.3 Da LogP 0.13 TPSA 49.6 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N1CCN(C)CC1
ZINC19504598 ZINC 0.516 213.3 Da LogP 0.13 TPSA 49.6 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C)CC1
ZINC19504599 ZINC 0.516 213.3 Da LogP 0.13 TPSA 49.6 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](N)C(=O)N1CCN(C)CC1
ZINC2390958 ZINC 0.516 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O
ZINC40472548 ZINC 0.516 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)O
ZINC8577168 ZINC 0.516 230.3 Da LogP 0.59 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)O
ZINC2522618 ZINC 0.515 245.3 Da LogP -1.20 TPSA 135.5 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
ZINC11959285 ZINC 0.500 200.3 Da LogP 0.22 TPSA 55.6 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](N)C(=O)N1CCOCC1
ZINC11959288 ZINC 0.500 200.3 Da LogP 0.22 TPSA 55.6 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N1CCOCC1
ZINC1575515 ZINC 0.500 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)O
ZINC19506206 ZINC 0.500 200.3 Da LogP 0.22 TPSA 55.6 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)N1CCOCC1
ZINC2384845 ZINC 0.500 260.3 Da LogP -0.21 TPSA 129.7 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
ZINC25624992 ZINC 0.500 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](NC(=O)[C@H](C)N)C(=O)O
ZINC25625001 ZINC 0.500 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)O
ZINC36158109 ZINC 0.500 221.3 Da LogP 2.10 TPSA 52.3 ✓ Ro5 ✓ Clean CC[C@H](C)[C@H](N)C(=O)OCc1ccccc1
ZINC36158113 ZINC 0.500 221.3 Da LogP 2.10 TPSA 52.3 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@@H](N)C(=O)OCc1ccccc1
ZINC37246007 ZINC 0.500 221.3 Da LogP 2.10 TPSA 52.3 ✓ Ro5 ✓ Clean CC[C@@H](C)[C@H](N)C(=O)OCc1ccccc1
ZINC37246008 ZINC 0.500 221.3 Da LogP 2.10 TPSA 52.3 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](N)C(=O)OCc1ccccc1
ZINC4787500 ZINC 0.500 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)O
ZINC8577157 ZINC 0.500 202.3 Da LogP -0.05 TPSA 92.4 ✓ Ro5 ✓ Clean CC[C@H](C)[C@@H](NC(=O)[C@H](C)N)C(=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 A0A0H3GYZ5