KpKP13 Protein target profile

Carboxylate-amine ligase

Accession: KP13_03453

Gene: AHE45829.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GPE1
Length 371
Pocket druggability (P2Rank · AlphaFold DB model) 0.97
Functional annotation 0 EC 4 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.

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
1.2% 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
94.88 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) 0.97
Structure A0A0H3GPE1
Pocket Pocket 1
Druggability (FPocket) 0.225
Structure A0A0H3GPE1
Pocket Pocket 26
ColabFold model
P2Rank 0.952 · Pocket 1
FPocket 0.618 · Pocket 15
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 56 / 4744 genomes with a hit
Prevalence 1.2%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

Primary amino-acid sequence viewer.

MPLADFHRSDPFTLGIELELQVVNPPGYDLSQDASTLIADVQHELTVGEAKHDITESMLEIATGVCRDISHAQIQLSAIQQAVQRAALRHHLQICGGGSHPFHAWQRQQISDNPRYVKTVEHFGYLAQQATVFGQHVHVGCQSGDDAIYLLHGLSRFVPHFIALNAASPWFDSTDSRFACSRLNRFSSYPDNGPMPWVADWQGFRRLFRQLSYTSMIDSMKDLHWDIRPSPQFGTVEVRVMDTPLTLAQAIHIAGFIQTLACWLLTERPFKHQPDDYLLYPFNRYQACRYGLDGTLTDVRSGEQRSIRQEILQLADRLAPFAHQLKATAALEAVVRQAKSPHSEAQQMRDFIANGGSLSGLVQKHCEIWAA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

4
  • GO:0016879 Catalysis of the joining of two molecules, or two groups within a single molecule, via a carbon-nitrogen bond, with the concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0042398 The chemical reactions and pathways resulting in the formation of compounds derived from amino acids, organic acids containing one or more amino substituents.
  • GO:0004357 Catalysis of the reaction: L-cysteine + L-glutamate + ATP = L-gamma-glutamyl-L-cysteine + ADP + 2 H+ + phosphate.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

10 records
Show feature table
Start End DB Term Name
1 371 Gene3D G3DSA:3.30.590.20 -
4 369 SUPERFAMILY SSF55931 Glutamine synthetase/guanido kinase
4 369 InterPro IPR014746 Glutamine synthetase/guanido kinase, catalytic domain
4 370 PANTHER PTHR36510 GLUTAMATE--CYSTEINE LIGASE 2-RELATED
13 296 NCBIfam TIGR02050 YbdK family carboxylate-amine ligase
13 296 InterPro IPR011793 Putative glutamate--cysteine ligase YbdK
1 371 Hamap MF_01609 Glutamate--cysteine ligase [gshA].
1 371 InterPro IPR011793 Putative glutamate--cysteine ligase YbdK
14 292 Pfam PF04107 Glutamate-cysteine ligase family 2(GCS2)
14 292 InterPro IPR006336 Glutamate--cysteine ligase, GCS2

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
0.97
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Surrounding area
Pocket 2 P2Rank #2
0.457
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Surrounding area
Pocket 3 P2Rank #3
0.065
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Surrounding area
Pocket 4 P2Rank #4
0.05
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Surrounding area
Pocket 5 P2Rank #5
0.013
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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 #26
0.225
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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_A0A0H3GPE1
AlphaFold DB full sequence Viewing
ColabFold KP13_03453
ColabFold full sequence Loaded