Protein profile

PA1898

quorum-sensing control repressor

Genome: NC_002516.2

Gene: DT376_23495 CAZ10_26210 PAERUG_P19_London_7_VIM_2_05_10_06810 GUL26_19290 phzR PA1898 sdiA_2 L4V69_21190 qscR ALP65_03645 Structure source: Experimental + AlphaFold UniProt G3XD77 UniProt Q9RMS5
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Amino acids 237
Annotations 7
Features 27
PDB binders 22
Druggability 0.786

Overview

Basic information about this protein and its source genome.

Accession
PA1898
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
DT376_23495 CAZ10_26210 PAERUG_P19_London_7_VIM_2_05_10_06810 GUL26_19290 phzR PA1898 sdiA_2 L4V69_21190 qscR ALP65_03645
Status
annotated
Amino acids
237
Structure source
Experimental + AlphaFold
GO
GO:0032993 A macromolecular complex containing both protein and DNA molecules. GO:0001216 A DNA-binding transcription factor activity that activates or increases transcription of specific gene sets. GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon. GO:1900377 Any process that stops, prevents or reduces the frequency, rate or extent of secondary metabolite biosynthetic process. GO:0009372 The cell-cell signaling process in which single-celled organisms carry out coordinated responses by monitoring their own population density, and often also that of other microbes, by producing small, diffusible, signal molecules, detecting the concentration of these molecules, and triggering a signal transduction pathway when a certain threshold is reached. Quorum sensing can occur amongst microbial communities in the environment or within host organisms. GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Cytoplasmic

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.786
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0032993 A macromolecular complex containing both protein and DNA molecules.
  • GO:0001216 A DNA-binding transcription factor activity that activates or increases transcription of specific gene sets.
  • GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.
  • GO:1900377 Any process that stops, prevents or reduces the frequency, rate or extent of secondary metabolite biosynthetic process.
  • GO:0009372 The cell-cell signaling process in which single-celled organisms carry out coordinated responses by monitoring their own population density, and often also that of other microbes, by producing small, diffusible, signal molecules, detecting the concentration of these molecules, and triggering a signal transduction pathway when a certain threshold is reached. Quorum sensing can occur amongst microbial communities in the environment or within host organisms.
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

Sequence Features

Domain/signature hits from InterPro and related databases.

27 records
Show feature table
Start End DB Term Name
173 230 SMART SM00421 luxrmega5
173 230 InterPro IPR000792 Transcription regulator LuxR, C-terminal
176 230 CDD cd06170 LuxR_C_like
176 230 InterPro IPR000792 Transcription regulator LuxR, C-terminal
176 190 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
176 190 InterPro IPR000792 Transcription regulator LuxR, C-terminal
206 218 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
206 218 InterPro IPR000792 Transcription regulator LuxR, C-terminal
190 206 PRINTS PR00038 LuxR bacterial regulatory protein HTH signature
190 206 InterPro IPR000792 Transcription regulator LuxR, C-terminal
190 217 ProSitePatterns PS00622 LuxR-type HTH domain signature.
190 217 InterPro IPR000792 Transcription regulator LuxR, C-terminal
1 167 Gene3D G3DSA:3.30.450.80 -
1 167 InterPro IPR036693 Transcription factor LuxR-like, autoinducer-binding domain superfamily
169 234 ProSiteProfiles PS50043 LuxR-type HTH domain profile.
169 234 InterPro IPR000792 Transcription regulator LuxR, C-terminal
168 237 Gene3D G3DSA:1.10.10.10 -
168 237 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
163 236 SUPERFAMILY SSF46894 C-terminal effector domain of the bipartite response regulators
163 236 InterPro IPR016032 Signal transduction response regulator, C-terminal effector
176 230 Pfam PF00196 Bacterial regulatory proteins, luxR family
17 157 Pfam PF03472 Autoinducer binding domain
17 157 InterPro IPR005143 Transcription factor LuxR-like, autoinducer-binding domain
161 235 PANTHER PTHR44688 -
1 167 FunFam G3DSA:3.30.450.80:FF:000004 LuxR family transcriptional regulator
4 166 SUPERFAMILY SSF75516 Pheromone-binding domain of LuxR-like quorum-sensing transcription factors
4 166 InterPro IPR036693 Transcription factor LuxR-like, autoinducer-binding domain superfamily

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

3 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 6CC0
X-ray 2.50 Å A,B
100.0% 1-237
PDBe RCSB PDBj File
Viewing
PDB 3SZT
X-ray 2.55 Å A,B
100.0% 1-237
PDBe RCSB PDBj File
Loaded
PDB 6CBQ
X-ray 2.80 Å A,B
100.0% 1-237
PDBe RCSB PDBj File
Loaded
AlphaFold PA1898
AlphaFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET Sticks Spheres Surfaces Druggability Labels Zoom Positions
1 0.786

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 26.89 0.917
2 1.55 0.023
3 0.43 0.0

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.

117 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
EVY
6CBQ 2.80 Å Open crystal
339.5 Da LogP 4.76 TPSA 55.4 ✓ Ro5 ✓ Clean CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O
OHN
3SZT 2.55 Å Open crystal
297.4 Da LogP 2.52 TPSA 72.5 ✓ Ro5 ✓ Clean CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=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.