Protein target profile

PA5549

glucosamine--fructose-6-phosphate aminotransferase

Genome: NC_002516.2

Gene: PA5549 glmS 3D evidence: AlphaFold DB model UniProt Q9HT25
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Length 611
Pocket druggability 0.714
Ligand records 58
EC / GO 1 / 10
Target summary

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

4 signals

Strengths

Strong predicted binding pocket FPocket selected-pocket score 0.71. This is a computational pocket signal, not binding validation. Structure available AlphaFold DB model Ligand evidence via structure/bioactivity 7 structural and 1 bioactivity records.

Risks / watch

Human similarity Top human hit identity: 38.824%.

Missing evidence

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.
How to read 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 TPW 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.

Overview

Basic information about this protein and its source genome.

Accession
PA5549
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5549 glmS
Status
annotated
Amino acids
611
3D evidence
AlphaFold DB model
EC
2.6.1.16
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0097367 Binding to a carbohydrate derivative. GO:0004360 Catalysis of the reaction: D-fructose 6-phosphate + L-glutamine = D-glucosamine 6-phosphate + L-glutamate. GO:0046349 The chemical reactions and pathways resulting in the formation of any amino sugar, sugars containing an amino group in place of a hydroxyl group. GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0006002 The chemical reactions and pathways involving fructose 6-phosphate, also known as F6P. The D-enantiomer is an important intermediate in glycolysis, gluconeogenesis, and fructose metabolism.

Target profile

Computed evidence for target prioritization.

Human off-target
Hit
Human identity (%)
38.824
Human E-value
3.18e-121
Gut microbiome off-target
Hit
Essential (DEG)
Y
Localization
Cytoplasmic

Selected pocket evidence

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.714
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MCGIVGAIAERNITPILIEGLKRLEYRGYDSAGVAVFDNEGRLQRCRRVGKVASLEEGLAGTPLLGRLGIAHTRWATHGAPTEGNAHPHFSSDEVAVVHNGIIENHEPLRERLKGLGYVFTSQTDTEVIVHLLHHKLQSIGDLTLALKDAVKELHGAYGLAVISAAQPDRIVAARSGSPLVIGLGLGENFLASDQLALRQVTDRFIYLEEGDIAEIRRDSVRLWDVQGNDVQRETVQYHEGAEAADKGEYRHFMLKEIHEQPSVVQRTLEGRLGQNQVLVESFGPQAAELFAKVRNVQIVACGTSYHAGMVARYWLESLTGIPCQVEVASEFRYRKVAVQPDCLFVTISQSGETADTLAALRNAKELGFLSSVAICNVATSSLVRESDLTLLTQAGPEIGVASTKAFTTQLVALLLLTLGIGQVQKRLADGVEAELVDELRRLPTRLGEALAMNRTVEKVSELFAEKHHTLFLGRGAQFPVALEGALKLKEISYIHAEAYPAGELKHGPLALVDSDMPVVTVAPNNELVEKLKSNLQEVRARGGELVVFADEGAGIEAGEGTHVVGMPHIGDVLSPILYTIPLQLLSYHVAVLKGTDVDQPRNLAKSVTVE

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 10 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

10
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0097367 Binding to a carbohydrate derivative.
  • GO:0004360 Catalysis of the reaction: D-fructose 6-phosphate + L-glutamine = D-glucosamine 6-phosphate + L-glutamate.
  • GO:0046349 The chemical reactions and pathways resulting in the formation of any amino sugar, sugars containing an amino group in place of a hydroxyl group.
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0006002 The chemical reactions and pathways involving fructose 6-phosphate, also known as F6P. The D-enantiomer is an important intermediate in glycolysis, gluconeogenesis, and fructose metabolism.
  • GO:0006487 A protein glycosylation process in which a carbohydrate or carbohydrate derivative unit is added to a protein via the N4 atom of an asparagine residue.
  • GO:0006047 The chemical reactions and pathways involving UDP-N-acetylglucosamine, a substance composed of N-acetylglucosamine, a common structural unit of oligosaccharides, in glycosidic linkage with uridine diphosphate.
  • GO:1901135 The chemical reactions and pathways involving carbohydrate derivative.
  • GO:1901137 The chemical reactions and pathways resulting in the formation of carbohydrate derivative.

Sequence Features

Domain/signature hits from InterPro and related databases.

33 records
Show feature table
Start End DB Term Name
2 611 NCBIfam TIGR01135 glutamine--fructose-6-phosphate transaminase (isomerizing)
2 611 InterPro IPR005855 Glucosamine-fructose-6-phosphate aminotransferase, isomerising
2 240 FunFam G3DSA:3.60.20.10:FF:000006 Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
246 611 SUPERFAMILY SSF53697 SIS domain
246 611 InterPro IPR046348 SIS domain superfamily
2 219 ProSiteProfiles PS51278 Glutamine amidotransferase type 2 domain profile.
2 219 InterPro IPR017932 Glutamine amidotransferase type 2 domain
451 596 FunFam G3DSA:3.40.50.10490:FF:000002 Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
464 593 Pfam PF01380 SIS domain
464 593 InterPro IPR001347 SIS domain
291 418 Pfam PF01380 SIS domain
291 418 InterPro IPR001347 SIS domain
296 407 CDD cd05008 SIS_GlmS_GlmD_1
296 407 InterPro IPR035466 GlmS/AgaS, SIS domain 1
457 609 CDD cd05009 SIS_GlmS_GlmD_2
457 609 InterPro IPR035490 GlmS/FrlB, SIS domain 2
2 235 SUPERFAMILY SSF56235 N-terminal nucleophile aminohydrolases (Ntn hydrolases)
2 235 InterPro IPR029055 Nucleophile aminohydrolases, N-terminal
2 216 CDD cd00714 GFAT
2 216 InterPro IPR047084 Glucosamine-fructose-6-phosphate aminotransferase, isomerising, N-terminal domain
460 601 ProSiteProfiles PS51464 SIS domain profile.
460 601 InterPro IPR001347 SIS domain
67 175 Pfam PF13522 Glutamine amidotransferase domain
1 611 PANTHER PTHR10937 GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE, ISOMERIZING
2 241 Gene3D G3DSA:3.60.20.10 Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
2 241 InterPro IPR029055 Nucleophile aminohydrolases, N-terminal
248 450 FunFam G3DSA:3.40.50.10490:FF:000001 Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
249 610 Gene3D G3DSA:3.40.50.10490 -
1 611 Hamap MF_00164 Glutamine--fructose-6-phosphate aminotransferase [isomerizing] [glmS].
1 611 InterPro IPR005855 Glucosamine-fructose-6-phosphate aminotransferase, isomerising
449 596 Gene3D G3DSA:3.40.50.10490 -
287 427 ProSiteProfiles PS51464 SIS domain profile.
287 427 InterPro IPR001347 SIS 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.

3D visualization script Full viewer

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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
AlphaFold DB PA5549
AlphaFold DB — — full sequence — Viewing
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · FPocket

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

Site 1 FPocket #1
0.714
Show in viewer
Site 2 FPocket #5
0.384
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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.

58 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 58 via homologs
Structural ligands 7 0 loaded crystals
Bioactive compounds 1 50 ZINC proposed compounds
Drug-like & clean 14 0 PAINS alerts
Best available ligand signal
AGP PDB via homolog 261.2 Da · LogP -3.50 · TPSA 173.7 Open detail RCSB PDB
Detail RCSB PDB AGP PDB via homolog
Detail RCSB PDB F6R PDB via homolog
Detail RCSB PDB G6Q PDB via homolog
Detail RCSB PDB HGA PDB via homolog

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
AGP RCSB PDB
1MOS
P17169 261.2 Da LogP -3.50 TPSA 173.7 1 viol. ✓ Clean C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)…
F6R RCSB PDB
4AMV
P17169 260.1 Da LogP -3.26 TPSA 164.8 1 viol. ✓ Clean C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
G6Q RCSB PDB
1JXA
P17169 260.1 Da LogP -3.26 TPSA 164.8 1 viol. ✓ Clean C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O…
HGA RCSB PDB
1XFG
P17169 162.1 Da LogP -1.32 TPSA 112.7 ✓ Ro5 ✓ Clean C(CC(=O)NO)[C@@H](C(=O)O)N
M6R RCSB PDB
2PUV
P53704 261.2 Da LogP -3.50 TPSA 173.7 1 viol. ✓ Clean C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N…
UD1 RCSB PDB
2PUT
P53704 607.4 Da LogP -4.65 TPSA 305.9 3 viol. ✓ Clean CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@]…
UD2 RCSB PDB
6SVM
Q06210-2 607.4 Da LogP -4.65 TPSA 305.9 3 viol. ✓ Clean CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](…

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.