KpKP13 Protein target profile

Glutaminase

Accession: KP13_05261

Gene: glsA AHE44667.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GXA9
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Length 308
Pocket druggability (P2Rank · AlphaFold DB model) 0.694
Direct ligand evidence 0 164 total records
Functional annotation 1 EC 4 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

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.69, FPocket 0.90). Use the 3D pocket comparison to verify whether they identify the same site. Strong predicted binding pocket FPocket selected-pocket score 0.90. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.69. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Human similarity Top human hit identity: 45.283%. This target also has a predicted binding pocket (P2Rank 0.69) — check the ligand evidence before deprioritizing on off-target risk alone. Microbiome similarity 155 of 4744 screened genomes (3.3%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.69) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

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
Hit
Human identity (%)
45.283 Lower values reduce human off-target concern.
Human E-value
2.72e-22
Gut microbiome similarity
3.3% 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
96.04 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) 0.694
Structure A0A0H3GXA9
Pocket Pocket 1
Druggability (FPocket) 0.895
Structure A0A0H3GXA9
Pocket Pocket 5
ColabFold model
P2Rank 0.767 · Pocket 1
FPocket 0.092 · Pocket 7
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 155 / 4744 genomes with a hit
Prevalence 3.3%

Sequence

Primary amino-acid sequence viewer.

MATVINNAMLEAILAEIRPLIGRGKVADYIPALASVSGDKLGIAISTVDGQHFAAGDAHERFSIQSISKVLSLVVAMNHYQEEEIWQRVGKDPSGQPFNSLLQLEIEQGKPRNPFINAGALVVCDMLQSRLSAPRQRMLEIVRRLSGVADIAYDPVVARSEFEHSARNAAIAWLMKSFGNFHNDVATVLQNYFHYCSLEMSCVELARTFLFLADRGIAPHLDAPVIAPIQSRQVNALMMTSGMYQNAGEFAWRVGLPAKSGVGGGIVAIVPQEMAIAVWSPELDDAGNSLAGVAILEKLTQRMGRSVF

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Subcellular localization

Localization
CytoplasmicMembrane

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0004359 Catalysis of the reaction: L-glutamine + H2O = L-glutamate + NH4+.
  • GO:0006541 The chemical reactions and pathways involving glutamine, 2-amino-4-carbamoylbutanoic acid.
  • GO:0006537 OBSOLETE. The chemical reactions and pathways resulting in the formation of glutamate, the anion of 2-aminopentanedioic acid.
  • GO:0006543 The chemical reactions and pathways resulting in the breakdown of L-glutamine.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
6 308 Hamap MF_00313 Glutaminase [glsA].
6 308 InterPro IPR015868 Glutaminase
6 308 Gene3D G3DSA:3.40.710.10 -
6 308 InterPro IPR012338 Beta-lactamase/transpeptidase-like
3 308 FunFam G3DSA:3.40.710.10:FF:000005 Glutaminase
24 308 Pfam PF04960 Glutaminase
24 308 InterPro IPR015868 Glutaminase
10 308 NCBIfam TIGR03814 glutaminase A
10 308 InterPro IPR015868 Glutaminase
10 306 PANTHER PTHR12544 GLUTAMINASE
10 306 InterPro IPR015868 Glutaminase
5 308 SUPERFAMILY SSF56601 beta-lactamase/transpeptidase-like
5 308 InterPro IPR012338 Beta-lactamase/transpeptidase-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.

Download VMD script Full viewer

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Drag to rotate — click the view, then scroll to zoom.

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
0.694
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Surrounding area
Pocket 2 P2Rank #2
0.122
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Surrounding area
Pocket 3 P2Rank #3
0.062
Show in viewer
Surrounding area
Pocket 4 P2Rank #4
0.049
Show in viewer
Surrounding area
Pocket 5 P2Rank #5
0.013
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #5
0.895
Show in viewer
Surrounding area
Pocket 2 FPocket #10
0.489
Show in viewer
Surrounding area
Residue sets
UniProt: Binding site:117-117
UniProt: Binding site:161-161
UniProt: Binding site:168-168
UniProt: Binding site:192-192
UniProt: Binding site:244-244
UniProt: Binding site:262-262
UniProt: Binding site:66-66
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_A0A0H3GXA9
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_05261
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.

164 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records
Transferred evidence 114 records from similar proteins
Structural ligands 14 0 loaded crystals
Measured bioactivity 100 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
04A PDB via homolog 524.7 Da · LogP 4.27 · TPSA 109.8 Open detail RCSB PDB
5XX PDB via homolog Detail RCSB PDB
5XY PDB via homolog Detail RCSB PDB
5XZ PDB via homolog Detail RCSB PDB
69V PDB via homolog Detail RCSB PDB

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
04A RCSB PDB
4JKT
D3Z7P3-2 524.7 Da LogP 4.27 TPSA 109.8 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)C…
5XX RCSB PDB
5FI2
O94925-3 520.6 Da LogP 3.44 TPSA 125.0 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(…
5XY RCSB PDB
5FI6
O94925-3 520.6 Da LogP 3.44 TPSA 125.0 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s…
5XZ RCSB PDB
5FI7
O94925-3 521.6 Da LogP 3.41 TPSA 122.2 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(…
69V RCSB PDB
5I94
O94925-3 535.7 Da LogP 3.80 TPSA 122.2 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)N…
B4A RCSB PDB
5WJ6
O94925-3 534.7 Da LogP 3.83 TPSA 125.0 1 viol. ✓ Clean c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)N…
BP0 RCSB PDB
3VP2
O94925 288.4 Da LogP 1.07 TPSA 103.6 ✓ Ro5 ✓ Clean C(CSCCc1nnc(s1)N)c2nnc(s2)N
BP8 RCSB PDB
3VP3
O94925 270.4 Da LogP 1.51 TPSA 103.6 ✓ Ro5 ✓ Clean C(CCc1nnc(s1)N)CCc2nnc(s2)N
BP9 RCSB PDB
3VP4
O94925 256.4 Da LogP 1.12 TPSA 103.6 ✓ Ro5 ✓ Clean C(CCc1nnc(s1)N)Cc2nnc(s2)N
DON RCSB PDB
2OSU
O31465 173.2 Da LogP -0.22 TPSA 116.6 ✓ Ro5 Alert C(CC(=O)CN=N)[C@@H](C(=O)O)N
ONL RCSB PDB
4O7D
O94925 145.2 Da LogP -0.23 TPSA 80.4 ✓ Ro5 ✓ Clean CC(=O)CC[C@@H](C(=O)O)N
Q9A RCSB PDB
6UJG
O94925-3 368.4 Da LogP 1.00 TPSA 125.0 ✓ Ro5 ✓ Clean CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C
Q9S RCSB PDB
6UK6
O94925-3 299.4 Da LogP 0.60 TPSA 116.1 ✓ Ro5 ✓ Clean C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N
QAJ RCSB PDB
6UMD
O94925-3 536.6 Da LogP 2.62 TPSA 150.8 2 viol. ✓ Clean c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)N…

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 A0A0H3GXA9

Chemistry

ChEMBL CHEMBL4538736 ChEMBL CHEMBL4547874 ChEMBL CHEMBL3810168 ChEMBL CHEMBL3810394 ChEMBL CHEMBL3809014 ChEMBL CHEMBL4454263 ChEMBL CHEMBL4469040 ChEMBL CHEMBL4475144 ChEMBL CHEMBL3670064 ChEMBL CHEMBL3675017 ChEMBL CHEMBL3675018 ChEMBL CHEMBL3675020 ChEMBL CHEMBL3675057 ChEMBL CHEMBL3675059 ChEMBL CHEMBL3680041 ChEMBL CHEMBL3674968 ChEMBL CHEMBL3674970 ChEMBL CHEMBL3675029 ChEMBL CHEMBL3675036 ChEMBL CHEMBL3675038 ChEMBL CHEMBL3675040 ChEMBL CHEMBL3675041 ChEMBL CHEMBL3675043 ChEMBL CHEMBL3675054 ChEMBL CHEMBL3675055 ChEMBL CHEMBL3675058 ChEMBL CHEMBL3675067 ChEMBL CHEMBL3675079 ChEMBL CHEMBL3675081 ChEMBL CHEMBL3675099 ChEMBL CHEMBL3675100 ChEMBL CHEMBL3675140 ChEMBL CHEMBL3675141 ChEMBL CHEMBL3675150 ChEMBL CHEMBL3675153 ChEMBL CHEMBL3679964 ChEMBL CHEMBL3679978 ChEMBL CHEMBL5825833 ChEMBL CHEMBL5883747 ChEMBL CHEMBL5968505 ChEMBL CHEMBL6039931 ChEMBL CHEMBL3808443 ChEMBL CHEMBL3674980 ChEMBL CHEMBL3674981 ChEMBL CHEMBL3674983 ChEMBL CHEMBL3675014 ChEMBL CHEMBL3675030 ChEMBL CHEMBL3675037 ChEMBL CHEMBL3675060 ChEMBL CHEMBL3675064 ChEMBL CHEMBL3675066 ChEMBL CHEMBL3675068 ChEMBL CHEMBL3675069 ChEMBL CHEMBL3675080 ChEMBL CHEMBL3675083 ChEMBL CHEMBL3675084 ChEMBL CHEMBL3675101 ChEMBL CHEMBL3675117 ChEMBL CHEMBL3675120 ChEMBL CHEMBL3675121 ChEMBL CHEMBL3675122 ChEMBL CHEMBL3675134 ChEMBL CHEMBL3675142 ChEMBL CHEMBL3675151 ChEMBL CHEMBL3675154 ChEMBL CHEMBL3675155 ChEMBL CHEMBL3675165 ChEMBL CHEMBL3675167 ChEMBL CHEMBL3675168 ChEMBL CHEMBL3679963 ChEMBL CHEMBL3679965 ChEMBL CHEMBL3679966 ChEMBL CHEMBL3679967 ChEMBL CHEMBL3679971 ChEMBL CHEMBL3679980 ChEMBL CHEMBL3679981 ChEMBL CHEMBL3679982 ChEMBL CHEMBL3679985 ChEMBL CHEMBL3679999 ChEMBL CHEMBL3680000 ChEMBL CHEMBL3680003 ChEMBL CHEMBL3947372 ChEMBL CHEMBL3985607 ChEMBL CHEMBL5847167 ChEMBL CHEMBL5918366 ChEMBL CHEMBL5941885 ChEMBL CHEMBL6030287 ChEMBL CHEMBL5207321 ChEMBL CHEMBL3670037 ChEMBL CHEMBL3675019 ChEMBL CHEMBL3675143 ChEMBL CHEMBL3675169 ChEMBL CHEMBL3675173 ChEMBL CHEMBL3679972 ChEMBL CHEMBL3679976 ChEMBL CHEMBL3679986 ChEMBL CHEMBL3679987 ChEMBL CHEMBL3679991 ChEMBL CHEMBL3679997 ChEMBL CHEMBL3680034