Protein profile

PA4021

transcriptional regulator

Genome: NC_002516.2

Gene: PA4021 Structure source: AlphaFold UniProt Q9HX06
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Amino acids 643
Annotations 10
Features 37
PDB binders 6
Druggability 0.335

Overview

Basic information about this protein and its source genome.

Accession
PA4021
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4021
Status
annotated
Amino acids
643
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 0.335
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.

37 records
Show feature table
Start End DB Term Name
73 194 Pfam PF01590 GAF domain
73 194 InterPro IPR003018 GAF domain
420 435 ProSitePatterns PS00676 Sigma-54 interaction domain ATP-binding region B signature.
420 435 InterPro IPR025943 Sigma-54 interaction domain, ATP-binding site 2
346 571 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
346 571 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
345 558 ProSiteProfiles PS50045 Sigma-54 interaction domain profile.
345 558 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
333 503 FunFam G3DSA:3.40.50.300:FF:000006 DNA-binding transcriptional regulator NtrC
505 578 Gene3D G3DSA:1.10.8.60 -
353 496 SMART SM00382 AAA_5
353 496 InterPro IPR003593 AAA+ ATPase domain
235 315 CDD cd00130 PAS
235 315 InterPro IPR000014 PAS domain
619 639 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
619 639 InterPro IPR002197 DNA binding HTH domain, Fis-type
602 619 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
602 619 InterPro IPR002197 DNA binding HTH domain, Fis-type
596 635 Pfam PF02954 Bacterial regulatory protein, Fis family
596 635 InterPro IPR002197 DNA binding HTH domain, Fis-type
68 199 SUPERFAMILY SSF55781 GAF domain-like
235 311 Gene3D G3DSA:3.30.450.20 PAS domain
357 370 ProSitePatterns PS00675 Sigma-54 interaction domain ATP-binding region A signature.
357 370 InterPro IPR025662 Sigma-54 interaction domain, ATP-binding site 1
315 641 PANTHER PTHR32071 TRANSCRIPTIONAL REGULATORY PROTEIN
24 209 Gene3D G3DSA:3.30.450.40 -
24 209 InterPro IPR029016 GAF-like domain superfamily
336 495 CDD cd00009 AAA
331 504 Gene3D G3DSA:3.40.50.300 -
331 504 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
542 638 SUPERFAMILY SSF46689 Homeodomain-like
542 638 InterPro IPR009057 Homeobox-like domain superfamily
339 498 Pfam PF00158 Sigma-54 interaction domain
339 498 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
594 640 Gene3D G3DSA:1.10.10.60 -
235 311 SUPERFAMILY SSF55785 PYP-like sensor domain (PAS domain)
235 311 InterPro IPR035965 PAS 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.

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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 PA4021
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 0.335

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.