Protein target profile

PA5522

glutamine synthetase

Genome: NC_002516.2

Gene: PA5522 3D evidence: AlphaFold DB model UniProt Q9HT51
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Length 455
Pocket druggability 0.722
Ligand records 57
EC / GO 0 / 5
Target summary

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

4 signals

Strengths

Strong predicted binding pocket FPocket selected-pocket score 0.72. This is a computational pocket signal, not binding validation. Structure available AlphaFold DB model Ligand evidence via structure/bioactivity 5 structural and 2 bioactivity records.

Risks / watch

Human similarity Top human hit identity: 26.005%.

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
PA5522
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5522
Status
annotated
Amino acids
455
3D evidence
AlphaFold DB model
GO
GO:0004356 Catalysis of the reaction: ATP + L-glutamate + NH4+ = ADP + H+ + L-glutamine + phosphate. GO:0006542 OBSOLETE. The chemical reactions and pathways resulting in the formation of glutamine, 2-amino-4-carbamoylbutanoic acid. GO:0006598 The chemical reactions and pathways resulting in the breakdown of polyamines, any organic compound containing two or more amino groups. 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:0006807 OBSOLETE. The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen.

Target profile

Computed evidence for target prioritization.

Human off-target
Hit
Human identity (%)
26.005
Human E-value
1.22e-18
Gut microbiome off-target
Hit
Essential (DEG)
N
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 0.722
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MHFADPREAREFLAAHPEVRSIELFLIDANGVPRGKLLHRDELLAVYESGRPLPSTILGLTINGDDVEETGLVWDVGDADCWTFPLPGSLTLQPWRQSPTGQVQVSMHPELGLPAAAGDPRHVLQRVIHSLQAEGFHPVMAVELEFYLLDRERDSDGRPLPALQMNGQRPRATQVYGVYELEQLQPFLDDLYAACEAQGLPARTAISEYAPGQVEITLQHRFDTLQAIDEGVRYKRLVKGVANRHGLQACFMAKPFADLSGSGLHLHVSLADAAGNNLFASEDPAGTPLLRQAIGGMKACLLESLALFCPNANSFRRFQANSYAPLAPTWGINNRTVSLRVPGGPASSRHIEHRICGADANPYLAAAALLAAVRLGIRERLDPGAPITGNGYAQATQALPSDWLTALRALEGSAWAREALGEDFLKIYLAIKQAEYRAFMGEVGEQDWRWYLNQA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0004356 Catalysis of the reaction: ATP + L-glutamate + NH4+ = ADP + H+ + L-glutamine + phosphate.
  • GO:0006542 OBSOLETE. The chemical reactions and pathways resulting in the formation of glutamine, 2-amino-4-carbamoylbutanoic acid.
  • GO:0006598 The chemical reactions and pathways resulting in the breakdown of polyamines, any organic compound containing two or more amino groups.
  • 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:0006807 OBSOLETE. The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
120 455 ProSiteProfiles PS51987 Glutamine synthetase (GS) catalytic domain profile.
120 455 InterPro IPR008146 Glutamine synthetase, catalytic domain
117 373 SMART SM01230 Gln_synt_C_2
117 373 InterPro IPR008146 Glutamine synthetase, catalytic domain
118 451 Pfam PF00120 Glutamine synthetase, catalytic domain
118 451 InterPro IPR008146 Glutamine synthetase, catalytic domain
118 453 SUPERFAMILY SSF55931 Glutamine synthetase/guanido kinase
118 453 InterPro IPR014746 Glutamine synthetase/guanido kinase, catalytic domain
120 454 FunFam G3DSA:3.30.590.10:FF:000016 Glutamine synthetase
9 109 SUPERFAMILY SSF54368 Glutamine synthetase, N-terminal domain
9 109 InterPro IPR036651 Glutamine synthetase, N-terminal domain superfamily
120 454 Gene3D G3DSA:3.30.590.10 Glutamine synthetase/guanido kinase, catalytic domain
10 454 PANTHER PTHR43785 GAMMA-GLUTAMYLPUTRESCINE SYNTHETASE

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 PA5522
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
0.722
Show in viewer
Site 2 FPocket #4
0.372
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Site 3 FPocket #3
0.25
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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.

57 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 57 via homologs
Structural ligands 5 0 loaded crystals
Bioactive compounds 2 50 ZINC proposed compounds
Drug-like & clean 24 0 PAINS alerts
Best available ligand signal
2K9 PDB via homolog 297.3 Da · LogP 2.28 · TPSA 47.3 Open detail RCSB PDB
Detail RCSB PDB 2K9 PDB via homolog
Detail RCSB PDB ANP PDB via homolog
Detail RCSB PDB P3S PDB via homolog
Detail RCSB PDB PPQ 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
2K9 RCSB PDB
4XYC
P9WN38 297.3 Da LogP 2.28 TPSA 47.3 ✓ Ro5 ✓ Clean c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5
ANP RCSB PDB
3NG0
P77961 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
P3S RCSB PDB
4LNI
P12425 260.2 Da LogP -1.02 TPSA 150.3 ✓ Ro5 ✓ Clean C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N
PPQ RCSB PDB
1FPY
P0A1P6 181.1 Da LogP -0.31 TPSA 100.6 ✓ Ro5 ✓ Clean C[P@](=O)(CC[C@@H](C(=O)O)N)O
TL RCSB PDB
1F1H
P0A1P6 204.4 Da LogP -0.38 TPSA 0.0 ✓ Ro5 ✓ Clean [Tl+]

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.