Protein profile

PA2758

transcriptional regulator

Genome: NC_002516.2

Gene: PA2758 Structure source: AlphaFold UniProt Q9I085
Export view
Amino acids 295
Annotations 3
Features 14
PDB binders 11
Druggability 0.766

Overview

Basic information about this protein and its source genome.

Accession
PA2758
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2758
Status
annotated
Amino acids
295
Structure source
AlphaFold
GO
GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. 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: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 0.766
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
  • 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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
89 293 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
103 288 Gene3D G3DSA:3.40.190.290 -
94 290 CDD cd05466 PBP2_LTTR_substrate
1 60 ProSiteProfiles PS50931 LysR-type HTH domain profile.
1 60 InterPro IPR000847 Transcription regulator HTH, LysR
88 292 Pfam PF03466 LysR substrate binding domain
88 292 InterPro IPR005119 LysR, substrate-binding
1 84 Gene3D G3DSA:1.10.10.10 -
1 84 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
1 292 PANTHER PTHR30126 HTH-TYPE TRANSCRIPTIONAL REGULATOR
7 63 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
7 63 InterPro IPR000847 Transcription regulator HTH, LysR
5 88 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
5 88 InterPro IPR036390 Winged helix DNA-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.

3D visualization script Full viewer

Loading 3D structure...

Legend High Medium Low

Structural evidence

0 + 1

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA2758
AlphaFold — — full sequence — Viewing
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
6 0.766
1 0.652
2 0.403

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.

98 records

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
BEZ
2F7A
O68014 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CCU
3GLB
P07774 142.1 Da LogP 0.27 TPSA 74.6 ✓ Ro5 ✓ Clean C(=C/C(=O)O)/C=C\C(=O)O
CZG
6B8A
Q9I4X0 420.5 Da LogP 4.99 TPSA 110.2 ✓ Ro5 ✓ Clean c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)…
HLH
6Q7U
Q9I4X0 243.4 Da LogP 4.04 TPSA 32.9 ✓ Ro5 ✓ Clean CCCCCCCC1=CC(=O)c2ccccc2N1
HLK
6Q7V
Q9I4X0 285.2 Da LogP 3.43 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F
HLQ
6Q7W
Q9I4X0 313.3 Da LogP 3.87 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F
MLI
4IHS
O68014 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
NNQ
4JVD
A0A0H2Z7A6 271.4 Da LogP 4.82 TPSA 32.9 ✓ Ro5 ✓ Clean CCCCCCCCCC1=CC(=O)c2ccccc2N1
OT2
6YIZ
Q9I4X0 540.6 Da LogP 1.83 TPSA 204.2 1 viol. ✓ Clean c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)…
QZN
4JVI
A0A0H2Z7A6 321.9 Da LogP 4.06 TPSA 60.9 ✓ Ro5 ✓ Clean CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl
U7Q
7NBW
Q9I4X0 294.3 Da LogP 3.70 TPSA 24.9 ✓ Ro5 ✓ Clean c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F

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.