Protein profile

PA4135

transcriptional regulator

Genome: NC_002516.2

Gene: PA4135 Structure source: Experimental + AlphaFold UniProt Q9HWP6
Amino acids 140
Annotations 5
Features 26
PDB binders 12
Druggability 0.537

Overview

Basic information about this protein and its source genome.

Accession
PA4135
Gene
PA4135
Status
annotated
Amino acids
140
Structure source
Experimental + AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
Y
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 0.537
Structure
Pocket

Sequence

Primary amino-acid sequence viewer.

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:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
  • 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.

26 records
Show feature table
Start End DB Term Name
1 140 Gene3D G3DSA:1.10.10.10 -
1 140 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
7 136 NCBIfam TIGR02337 homoprotocatechuate degradation operon regulator, HpaR
7 136 InterPro IPR012712 HTH-type transcriptional regulator HpaR/FarR
32 90 Pfam PF01047 MarR family
32 90 InterPro IPR000835 MarR-type HTH domain
1 5 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 140 FunFam G3DSA:1.10.10.10:FF:000714 MarR family transcriptional regulator
66 81 PRINTS PR00598 Bacterial regulatory protein MarR family signature
66 81 InterPro IPR000835 MarR-type HTH domain
115 135 PRINTS PR00598 Bacterial regulatory protein MarR family signature
115 135 InterPro IPR000835 MarR-type HTH domain
85 101 PRINTS PR00598 Bacterial regulatory protein MarR family signature
85 101 InterPro IPR000835 MarR-type HTH domain
25 125 SMART SM00347 marrlong4
25 125 InterPro IPR000835 MarR-type HTH domain
19 140 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
5 137 ProSiteProfiles PS50995 MarR-type HTH domain profile.
5 137 InterPro IPR000835 MarR-type HTH domain
1 18 Phobius SIGNAL_PEPTIDE Signal peptide region
14 18 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
7 137 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
7 137 InterPro IPR036390 Winged helix DNA-binding domain superfamily
8 137 PANTHER PTHR33164 TRANSCRIPTIONAL REGULATOR, MARR FAMILY
8 137 InterPro IPR039422 Transcription regulators MarR/SlyA-like
6 13 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.

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 2FBI
X-ray 2.10 Å A
100.0% 1-140
Viewing
AlphaFold PA4135
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
2 0.537
1 0.323

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 5.83 0.285
2 4.09 0.164

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.

62 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 C5CSP2 203.2 Da LogP 2.58 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
4HP Q7DD70 152.1 Da LogP 1.02 TPSA 57.5 ✓ Ro5 ✓ Clean c1cc(ccc1CC(=O)O)O
BEZ C5CSP2 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CAQ C5CSP2 110.1 Da LogP 1.10 TPSA 40.5 ✓ Ro5 Alert c1ccc(c(c1)O)O
CFA C5CSP2 221.0 Da LogP 2.46 TPSA 46.5 ✓ Ro5 ✓ Clean c1cc(c(cc1Cl)Cl)OCC(=O)O
HID C5CSP2 191.2 Da LogP 1.50 TPSA 73.3 ✓ Ro5 ✓ Clean c1cc2c(cc1O)c(c[nH]2)CC(=O)O
IAC B0FXI7 175.2 Da LogP 1.79 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC(=O)O
ICO C5CSP2 161.2 Da LogP 1.87 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)C(=O)O
IOP C5CSP2 189.2 Da LogP 2.19 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCC(=O)O
SAL C5CSP2 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
WCA Q6N8V9 913.7 Da LogP 0.08 TPSA 383.9 3 viol. ✓ Clean CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…
WOM 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.