Protein profile

PA3341

transcriptional regulator

Genome: NC_002516.2

Gene: PA3341 Structure source: Experimental + AlphaFold UniProt Q9HYQ4
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Amino acids 144
Annotations 5
Features 22
PDB binders 11
Druggability 0.677

Overview

Basic information about this protein and its source genome.

Accession
PA3341
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3341
Status
annotated
Amino acids
144
Structure source
Experimental + AlphaFold
GO
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). 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:0046872 Binding to a metal ion. GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

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 0.677
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • 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:0046872 Binding to a metal ion.
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
66 100 ProSitePatterns PS01117 MarR-type HTH domain signature.
66 100 InterPro IPR023187 Transcriptional regulator MarR-type, conserved site
68 83 PRINTS PR00598 Bacterial regulatory protein MarR family signature
68 83 InterPro IPR000835 MarR-type HTH domain
117 137 PRINTS PR00598 Bacterial regulatory protein MarR family signature
117 137 InterPro IPR000835 MarR-type HTH domain
51 67 PRINTS PR00598 Bacterial regulatory protein MarR family signature
51 67 InterPro IPR000835 MarR-type HTH domain
87 103 PRINTS PR00598 Bacterial regulatory protein MarR family signature
87 103 InterPro IPR000835 MarR-type HTH domain
31 91 Pfam PF12802 MarR family
31 91 InterPro IPR000835 MarR-type HTH domain
26 127 SMART SM00347 marrlong4
26 127 InterPro IPR000835 MarR-type HTH domain
9 142 PANTHER PTHR33164 TRANSCRIPTIONAL REGULATOR, MARR FAMILY
9 142 InterPro IPR039422 Transcription regulators MarR/SlyA-like
1 144 Gene3D G3DSA:1.10.10.10 -
1 144 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
6 139 ProSiteProfiles PS50995 MarR-type HTH domain profile.
6 139 InterPro IPR000835 MarR-type HTH domain
9 143 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
9 143 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

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Structural evidence

1 + 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 2FBH
X-ray 1.80 Å A
100.0% 1-144
PDBe RCSB PDBj File
Viewing
AlphaFold PA3341
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
3 0.677
1 0.439
2 0.335

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 2.05 0.045
2 1.79 0.033

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.

61 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
3IB
7KIG
C5CSP2 203.2 Da LogP 2.58 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
BEZ
7KFS
C5CSP2 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CAQ
7KK0
C5CSP2 110.1 Da LogP 1.10 TPSA 40.5 ✓ Ro5 Alert c1ccc(c(c1)O)O
CFA
7KKI
C5CSP2 221.0 Da LogP 2.46 TPSA 46.5 ✓ Ro5 ✓ Clean c1cc(c(cc1Cl)Cl)OCC(=O)O
ET
5FFZ
Q5Y812 314.4 Da LogP 4.13 TPSA 55.9 ✓ Ro5 Alert CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
HID
7KKC
C5CSP2 191.2 Da LogP 1.50 TPSA 73.3 ✓ Ro5 ✓ Clean c1cc2c(cc1O)c(c[nH]2)CC(=O)O
IAC
7KFO
C5CSP2 175.2 Da LogP 1.79 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC(=O)O
ICO
7KFQ
C5CSP2 161.2 Da LogP 1.87 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)C(=O)O
IOP
7KH3
C5CSP2 189.2 Da LogP 2.19 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCC(=O)O
SAL
7KJL
C5CSP2 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
WOM
7KJQ
C5CSP2 241.5 Da LogP 2.32 TPSA 76.2 ✓ Ro5 ✓ Clean c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)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.