Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2798
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2798
Status: annotated
Amino acids: 394
Structure source: Experimental + AlphaFold

GO

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0032993 A macromolecular complex containing both protein and DNA molecules. GO:0046872 Binding to a metal ion. GO:0000156 Responds to a phosphorelay sensor to initiate a change in cell state or activity. The activity of the response regulator is regulated by transfer of a phosphate from a histidine residue in the sensor, to an aspartate residue in the response regulator. Many but not all response regulators act as transcriptional regulators to elicit a response. 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: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): 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 0.808

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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0032993 A macromolecular complex containing both protein and DNA molecules.
GO:0046872 Binding to a metal ion.
GO:0000156 Responds to a phosphorelay sensor to initiate a change in cell state or activity. The activity of the response regulator is regulated by transfer of a phosphate from a histidine residue in the sensor, to an aspartate residue in the response regulator. Many but not all response regulators act as transcriptional regulators to elicit a response.
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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records

Show feature table

Start	End	DB	Term	Name
5	140	FunFam	G3DSA:3.40.50.2300:FF:000301	Response regulator receiver
6	118	SMART	SM00448	REC_2
6	118	InterPro	IPR001789	Signal transduction response regulator, receiver domain
9	110	Pfam	PF00072	Response regulator receiver domain
9	110	InterPro	IPR001789	Signal transduction response regulator, receiver domain
142	394	Gene3D	G3DSA:3.60.40.10	-
142	394	InterPro	IPR036457	PPM-type phosphatase-like domain superfamily
7	365	PANTHER	PTHR48111	REGULATOR OF RPOS
7	365	InterPro	IPR039420	Transcriptional regulatory protein WalR-like
174	391	SMART	SM00331	PP2C_SIG_2
174	391	InterPro	IPR001932	PPM-type phosphatase-like domain
7	149	SUPERFAMILY	SSF52172	CheY-like
7	149	InterPro	IPR011006	CheY-like superfamily
124	158	Coils	Coil	Coil
201	391	Pfam	PF07228	Stage II sporulation protein E (SpoIIE)
201	391	InterPro	IPR001932	PPM-type phosphatase-like domain
2	141	Gene3D	G3DSA:3.40.50.2300	-
7	121	ProSiteProfiles	PS50110	Response regulatory domain profile.
7	121	InterPro	IPR001789	Signal transduction response regulator, receiver domain
6	121	CDD	cd17555	REC_RssB-like

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

4 + 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 3EQ2	X-ray	3.40 Å	A,B	100.0% 1-394	PDBe RCSB PDBj File	Viewing
PDB 3F7A	X-ray	4.31 Å	A,B	100.0% 1-394	PDBe RCSB PDBj File	Loaded
PDB 3F79	X-ray	2.80 Å	A,B,C,D,E,F	64.7% 140-394	PDBe RCSB PDBj File	Loaded
PDB 3ES2	X-ray	2.95 Å	A,B	64.7% 140-394	PDBe RCSB PDBj File	Loaded
AlphaFold PA2798	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				0.62
2				0.303

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.

5 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
BEF	6EB7	A0A0H2UQ68	66.0 Da LogP 0.88 TPSA 0.0	✓ Ro5	✓ Clean	`[Be-](F)(F)F`
BF2	1L5Y	P13632	47.0 Da LogP 0.46 TPSA 0.0	✓ Ro5	✓ Clean	`[Be](F)F`
BF4	1L5Y	P13632	85.0 Da LogP 1.30 TPSA 0.0	✓ Ro5	✓ Clean	`[Be-2](F)(F)(F)F`
CYC	6OB8	A0A5S8WF70	588.7 Da LogP 5.19 TPSA 160.9	2 viol.	✓ Clean	`CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\…`
PHS	1NXP	A0A0H2UQ68	82.0 Da LogP -0.64 TPSA 57.5	✓ Ro5	✓ Clean	`OP(=O)O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

No virtual-screening candidates for this protein.

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.

PA2798