Protein profile

PA4147

transcriptional regulator AcoR

Genome: NC_002516.2

Gene: acoR PA4147 Structure source: AlphaFold UniProt Q9HWN4
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Amino acids 625
Annotations 10
Features 34
PDB binders 6
Druggability 0.534

Overview

Basic information about this protein and its source genome.

Accession
PA4147
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
acoR PA4147
Status
annotated
Amino acids
625
Structure source
AlphaFold
GO
GO:0032993 A macromolecular complex containing both protein and DNA molecules. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0000987 Binding to a specific upstream regulatory DNA sequence (transcription factor recognition sequence or binding site, located in cis relative to the transcription start site (i.e., on the same strand of DNA) of a gene transcribed by some RNA polymerase. Cis-regulatory sites are often referred to as a sequence motifs, enhancers, or silencers. GO:0001216 A DNA-binding transcription factor activity that activates or increases transcription of specific gene sets. GO:0045893 Any process that activates or increases 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.

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 0.534
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

10 GO

Gene Ontology (GO)

10
  • GO:0032993 A macromolecular complex containing both protein and DNA molecules.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0000987 Binding to a specific upstream regulatory DNA sequence (transcription factor recognition sequence or binding site, located in cis relative to the transcription start site (i.e., on the same strand of DNA) of a gene transcribed by some RNA polymerase. Cis-regulatory sites are often referred to as a sequence motifs, enhancers, or silencers.
  • GO:0001216 A DNA-binding transcription factor activity that activates or increases transcription of specific gene sets.
  • GO:0045893 Any process that activates or increases 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:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding.
  • GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
  • GO:0005515 Binding to a protein.
  • GO:0008134 Binding to a transcription factor, a protein required to initiate or regulate transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records
Show feature table
Start End DB Term Name
337 481 SMART SM00382 AAA_5
337 481 InterPro IPR003593 AAA+ ATPase domain
322 480 Pfam PF00158 Sigma-54 interaction domain
322 480 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
598 618 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
598 618 InterPro IPR002197 DNA binding HTH domain, Fis-type
581 598 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
581 598 InterPro IPR002197 DNA binding HTH domain, Fis-type
321 559 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
321 559 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
341 354 ProSitePatterns PS00675 Sigma-54 interaction domain ATP-binding region A signature.
341 354 InterPro IPR025662 Sigma-54 interaction domain, ATP-binding site 1
323 488 CDD cd00009 AAA
490 565 Gene3D G3DSA:1.10.8.60 -
126 619 PANTHER PTHR32071 TRANSCRIPTIONAL REGULATORY PROTEIN
77 203 Pfam PF01590 GAF domain
77 203 InterPro IPR003018 GAF domain
305 489 Gene3D G3DSA:3.40.50.300 -
305 489 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
528 617 SUPERFAMILY SSF46689 Homeodomain-like
528 617 InterPro IPR009057 Homeobox-like domain superfamily
20 211 Gene3D G3DSA:3.30.450.40 -
20 211 InterPro IPR029016 GAF-like domain superfamily
404 419 ProSitePatterns PS00676 Sigma-54 interaction domain ATP-binding region B signature.
404 419 InterPro IPR025943 Sigma-54 interaction domain, ATP-binding site 2
321 545 ProSiteProfiles PS50045 Sigma-54 interaction domain profile.
321 545 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
579 614 Pfam PF02954 Bacterial regulatory protein, Fis family
579 614 InterPro IPR002197 DNA binding HTH domain, Fis-type
529 538 ProSitePatterns PS00688 Sigma-54 interaction domain C-terminal part signature.
529 538 InterPro IPR025944 Sigma-54 interaction domain, conserved site
69 212 SUPERFAMILY SSF55781 GAF domain-like
317 488 FunFam G3DSA:3.40.50.300:FF:000006 DNA-binding transcriptional regulator NtrC
578 617 Gene3D G3DSA:1.10.10.60 -

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

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 PA4147
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
3 0.534
5 0.248

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
08T
4LZZ
O67198 — — — [Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@…
5QT
5EP3
Q1ZS18 272.3 Da LogP 0.83 TPSA 99.9 ✓ Ro5 ✓ Clean CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S
AGS
5EXS
G3XCV0 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ANP
4QHT
A0A0H3AHP1 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AZU
5EP2
Q1ZS18 273.3 Da LogP 0.14 TPSA 104.9 ✓ Ro5 ✓ Clean CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O
C2E
5EXX
G3XCV0 690.4 Da LogP -3.05 TPSA 349.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=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.