Protein profile

PA2449

transcriptional regulator

Genome: NC_002516.2

Gene: PA2449 Structure source: AlphaFold UniProt Q9I133
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Amino acids 511
Annotations 15
Features 31
PDB binders 6
Druggability 0.737

Overview

Basic information about this protein and its source genome.

Accession
PA2449
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2449
Status
annotated
Amino acids
511
Structure source
AlphaFold
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. 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:0016791 Catalysis of the hydrolysis of a phosphoric monoester, releasing a phosphate.

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 0.737
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MRIHVSFIDRVGITQEVLALLGGRNLNLDAVEMVPPNVYIDAPTLSPEVLEELRAALLGIRGVQAMTVVDILPGQRRRLQLDALLAAMADPVLAVDGKGLVLLANPAFSERCGRDPAGERLASLFDDETLEDALVEQGFRLPLREVTFMGQALLLDATPITEGPGEGERHLAGGLLTLYEPNRIGERLAALHHDHAEGFEMLLGDSQPIRTLKTRAQRVAALDAPLLIHGETGTGKELVARGCHALSARHNSPFLALNCAALPENLAESELFGYAPGAFTGAQRGGKPGLLELAHQGTVFLDEIGEMSPYLQAKLLRFLSDGSFRRVGGDREVRVDVRILSATHRNLEKMVAEGSFREDLFYRLNVLSLEVPPLRERGHDILLLARHFMQQACAQIQRPVCRLAPGTYPALLSNRWPGNVRQLQNVIFRAAAICESSLVDIGDLEIAGTAVARQNDGEVGSLEEAVEGFEKALLEKLYVSYPSTRQLAARLQTSHTAIAHRLRKYGIGPRA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

15 GO

Gene Ontology (GO)

15
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • 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:0016791 Catalysis of the hydrolysis of a phosphoric monoester, releasing a phosphate.
  • 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:0006546 The chemical reactions and pathways resulting in the breakdown of glycine.
  • GO:0045764 Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways involving amino acid.
  • GO:0045893 Any process that activates or increases the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:1900378 Any process that activates or increases the frequency, rate or extent of secondary metabolite biosynthetic process.
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • 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.

31 records
Show feature table
Start End DB Term Name
209 365 CDD cd00009 AAA
186 507 PANTHER PTHR32071 TRANSCRIPTIONAL REGULATORY PROTEIN
203 445 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
203 445 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
416 425 ProSitePatterns PS00688 Sigma-54 interaction domain C-terminal part signature.
416 425 InterPro IPR025944 Sigma-54 interaction domain, conserved site
1 79 Gene3D G3DSA:3.30.70.260 -
194 373 FunFam G3DSA:3.40.50.300:FF:000006 DNA-binding transcriptional regulator NtrC
374 440 Gene3D G3DSA:1.10.8.60 -
191 373 Gene3D G3DSA:3.40.50.300 -
191 373 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
449 508 FunFam G3DSA:1.10.10.60:FF:000489 Fis family transcriptional regulator
374 440 FunFam G3DSA:1.10.8.60:FF:000136 Fis family transcriptional regulator
203 369 Pfam PF00158 Sigma-54 interaction domain
203 369 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
460 507 Pfam PF18024 Helix-turn-helix domain
460 507 InterPro IPR030828 TyrR family, helix-turn-helix domain
202 432 ProSiteProfiles PS50045 Sigma-54 interaction domain profile.
202 432 InterPro IPR002078 RNA polymerase sigma factor 54 interaction domain
449 508 Gene3D G3DSA:1.10.10.60 -
222 367 SMART SM00382 AAA_5
222 367 InterPro IPR003593 AAA+ ATPase domain
226 239 ProSitePatterns PS00675 Sigma-54 interaction domain ATP-binding region A signature.
226 239 InterPro IPR025662 Sigma-54 interaction domain, ATP-binding site 1
81 186 Gene3D G3DSA:3.30.450.20 PAS domain
456 508 SUPERFAMILY SSF46689 Homeodomain-like
456 508 InterPro IPR009057 Homeobox-like domain superfamily
461 508 NCBIfam TIGR04381 TyrR family helix-turn-helix domain
461 508 InterPro IPR030828 TyrR family, helix-turn-helix domain
80 130 SUPERFAMILY SSF55785 PYP-like sensor domain (PAS domain)
80 130 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 PA2449
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
4 0.737
14 0.224

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.