Protein profile

PA2005

transcriptional regulator

Genome: NC_002516.2

Gene: PA2005 Structure source: AlphaFold UniProt Q9I2A4
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Amino acids 481
Annotations 10
Features 38
PDB binders 6
Druggability 0.865

Overview

Basic information about this protein and its source genome.

Accession
PA2005
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2005
Status
annotated
Amino acids
481
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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GO:0045893 Any process that activates or increases 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 0.865
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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • 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:0008134 Binding to a transcription factor, a protein required to initiate or regulate transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

38 records
Show feature table
Start End DB Term Name
28 117 CDD cd00130 PAS
28 117 InterPro IPR000014 PAS domain
85 470 PANTHER PTHR32071 TRANSCRIPTIONAL REGULATORY PROTEIN
149 329 FunFam G3DSA:3.40.50.300:FF:000006 DNA-binding transcriptional regulator NtrC
143 329 Gene3D G3DSA:3.40.50.300 -
143 329 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
158 397 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
158 397 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
419 472 Gene3D G3DSA:1.10.10.60 -
167 329 CDD cd00009 AAA
19 86 SMART SM00091 pas_2
19 86 InterPro IPR000014 PAS domain
330 401 Gene3D G3DSA:1.10.8.60 -
6 118 Gene3D G3DSA:3.30.450.20 PAS domain
426 463 Pfam PF02954 Bacterial regulatory protein, Fis family
426 463 InterPro IPR002197 DNA binding HTH domain, Fis-type
432 449 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
432 449 InterPro IPR002197 DNA binding HTH domain, Fis-type
449 469 PRINTS PR01590 FIS bacterial regulatory protein HTH signature
449 469 InterPro IPR002197 DNA binding HTH domain, Fis-type
178 323 SMART SM00382 AAA_5
178 323 InterPro IPR003593 AAA+ ATPase domain
158 385 ProSiteProfiles PS50045 Sigma-54 interaction domain profile.
158 385 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
369 468 SUPERFAMILY SSF46689 Homeodomain-like
369 468 InterPro IPR009057 Homeobox-like domain superfamily
26 116 Pfam PF08448 PAS fold
26 116 InterPro IPR013656 PAS fold-4
11 116 SUPERFAMILY SSF55785 PYP-like sensor domain (PAS domain)
11 116 InterPro IPR035965 PAS domain superfamily
245 260 ProSitePatterns PS00676 Sigma-54 interaction domain ATP-binding region B signature.
245 260 InterPro IPR025943 Sigma-54 interaction domain, ATP-binding site 2
182 195 ProSitePatterns PS00675 Sigma-54 interaction domain ATP-binding region A signature.
182 195 InterPro IPR025662 Sigma-54 interaction domain, ATP-binding site 1
369 378 ProSitePatterns PS00688 Sigma-54 interaction domain C-terminal part signature.
369 378 InterPro IPR025944 Sigma-54 interaction domain, conserved site
159 326 Pfam PF00158 Sigma-54 interaction domain
159 326 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain

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

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Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA2005
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
10 0.865
5 0.503

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.