Protein profile

PA3574

transcriptional regulator

Genome: NC_002516.2

Gene: PA3574 nalD Structure source: Experimental + AlphaFold UniProt Q9HY46
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Amino acids 212
Annotations 7
Features 20
PDB binders 6
Druggability 0.926

Overview

Basic information about this protein and its source genome.

Accession
PA3574
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3574 nalD
Status
annotated
Amino acids
212
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: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:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription. GO:0034763 Any process that stops, prevents, or reduces the frequency, rate or extent of the directed movement of a solute from one side of a membrane to the other. GO:0051051 Any process that stops, prevents, or reduces the frequency, rate or extent of the directed movement of substances (such as macromolecules, small molecules, ions) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

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 0.926
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: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: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:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0034763 Any process that stops, prevents, or reduces the frequency, rate or extent of the directed movement of a solute from one side of a membrane to the other.
  • GO:0051051 Any process that stops, prevents, or reduces the frequency, rate or extent of the directed movement of substances (such as macromolecules, small molecules, ions) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • 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.

20 records
Show feature table
Start End DB Term Name
83 198 Pfam PF08361 MAATS-type transcriptional repressor, C-terminal region
83 198 InterPro IPR013572 Transcription regulator MAATS, C-terminal
83 202 SUPERFAMILY SSF48498 Tetracyclin repressor-like, C-terminal domain
83 202 InterPro IPR036271 Tetracyclin repressor-like, C-terminal domain superfamily
9 69 ProSiteProfiles PS50977 TetR-type HTH domain profile.
9 69 InterPro IPR001647 DNA-binding HTH domain, TetR-type
1 212 FunFam G3DSA:1.10.357.10:FF:000003 HTH-type transcriptional regulator AcrR
27 57 ProSitePatterns PS01081 TetR-type HTH domain signature.
27 57 InterPro IPR023772 DNA-binding HTH domain, TetR-type, conserved site
1 65 SUPERFAMILY SSF46689 Homeodomain-like
1 65 InterPro IPR009057 Homeobox-like domain superfamily
1 212 Gene3D G3DSA:1.10.357.10 Tetracycline Repressor, domain 2
15 28 PRINTS PR00455 TetR bacterial regulatory protein HTH signature
15 28 InterPro IPR001647 DNA-binding HTH domain, TetR-type
36 59 PRINTS PR00455 TetR bacterial regulatory protein HTH signature
36 59 InterPro IPR001647 DNA-binding HTH domain, TetR-type
2 207 PANTHER PTHR30055 HTH-TYPE TRANSCRIPTIONAL REGULATOR RUTR
15 61 Pfam PF00440 Bacterial regulatory proteins, tetR family
15 61 InterPro IPR001647 DNA-binding HTH domain, TetR-type
8 59 FunFam G3DSA:1.10.10.60:FF:000141 TetR family transcriptional regulator

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

2 + 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 5DAJ
X-ray 2.65 Å A,B,C,D,E,F,G,H
100.0% 1-212
PDBe RCSB PDBj File
Viewing
PDB 5H9T
X-ray 2.89 Å A,B,C,D,E,F,G,H
100.0% 1-212
PDBe RCSB PDBj File
Loaded
AlphaFold PA3574
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 0.926

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 30.46 0.934

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.

56 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
CXS
3VIB
P39897 221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)O
DCC
1VI0
P94548 949.8 Da LogP 2.59 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)…
DG
5K7Z
Q1D4I5 347.2 Da LogP -1.54 TPSA 185.8 ✓ Ro5 ✓ Clean c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N…
IVC
5K7H
Q1D4I5 851.7 Da LogP -0.29 TPSA 363.6 3 viol. ✓ Clean CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=…
ST9
3WHC
P94548 1034.0 Da LogP 4.93 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C…
TCL
3P9T
Q8KLP4 289.5 Da LogP 5.14 TPSA 29.5 1 viol. ✓ Clean c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl

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.