Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA4776
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4776 pmrA
Status: annotated
Amino acids: 221
Structure source: 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: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: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. 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 0.735

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MRILLAEDDLLLGDGIRAGLRLEGDTVEWVTDGVAAENALVTDEFDLLVLDIGLPRRSGLDILRNLRHQGLLTPVLLLTARDKVADRVAGLDSGADDYLTKPFDLDELQARVRALTRRTTGRALPQLVHGELRLDPATHQVTLSGQAVELAPREYALLRLLLENSGKVLSRNQLEQSLYGWSGDVESNAIEVHVHHLRRKLGNQLIRTVRGIGYGIDQPAP

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: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: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.
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).

Sequence Features

Domain/signature hits from InterPro and related databases.

27 records

Show feature table

Start	End	DB	Term	Name
125	216	SUPERFAMILY	SSF46894	C-terminal effector domain of the bipartite response regulators
125	216	InterPro	IPR016032	Signal transduction response regulator, C-terminal effector
86	118	Gene3D	G3DSA:6.10.250.690	-
145	214	Pfam	PF00486	Transcriptional regulatory protein, C terminal
145	214	InterPro	IPR001867	OmpR/PhoB-type DNA-binding domain
1	80	FunFam	G3DSA:3.40.50.2300:FF:000002	DNA-binding response regulator PhoP
145	216	SMART	SM00862	Trans_reg_C_3
145	216	InterPro	IPR001867	OmpR/PhoB-type DNA-binding domain
124	218	ProSiteProfiles	PS51755	OmpR/PhoB-type DNA-binding domain profile.
124	218	InterPro	IPR001867	OmpR/PhoB-type DNA-binding domain
1	219	PANTHER	PTHR48111	REGULATOR OF RPOS
1	219	InterPro	IPR039420	Transcriptional regulatory protein WalR-like
3	117	CDD	cd17624	REC_OmpR_PmrA-like
121	218	FunFam	G3DSA:1.10.10.10:FF:000005	Two-component system response regulator
124	218	Gene3D	G3DSA:1.10.10.10	-
124	218	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
2	116	ProSiteProfiles	PS50110	Response regulatory domain profile.
2	116	InterPro	IPR001789	Signal transduction response regulator, receiver domain
1	112	SMART	SM00448	REC_2
1	112	InterPro	IPR001789	Signal transduction response regulator, receiver domain
132	214	CDD	cd00383	trans_reg_C
132	214	InterPro	IPR001867	OmpR/PhoB-type DNA-binding domain
1	85	Gene3D	G3DSA:3.40.50.2300	-
1	118	SUPERFAMILY	SSF52172	CheY-like
1	118	InterPro	IPR011006	CheY-like superfamily
3	112	Pfam	PF00072	Response regulator receiver domain
3	112	InterPro	IPR001789	Signal transduction response regulator, receiver domain

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

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 PA4776	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				0.735
2				0.704

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.

2 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 2 via homologs

Structural ligands 2 0 loaded crystals

Bioactive compounds 0 0 ZINC candidates

Drug-like & clean 2 0 PAINS alerts

Best available ligand signal

BEF PDB via homolog 66.0 Da · LogP 0.88 · TPSA 0.0

BEF PDB via homolog CAC PDB via homolog

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	4S04	A0A0R4I965	66.0 Da LogP 0.88 TPSA 0.0	✓ Ro5	✓ Clean	`[Be-](F)(F)F`
CAC	5ED4	P71814	137.0 Da LogP -0.52 TPSA 40.1	✓ Ro5	✓ Clean	`C[As](=O)(C)[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.

PA4776