Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2277
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2277 arsR
Status: annotated
Amino acids: 116
Structure source: AlphaFold

GO

GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. GO:0046872 Binding to a metal ion. GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0046685 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an arsenic stimulus from compounds containing arsenic, including arsenates, arsenites, and arsenides.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

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 0.812

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5

GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
GO:0046872 Binding to a metal ion.
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0046685 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an arsenic stimulus from compounds containing arsenic, including arsenates, arsenites, and arsenides.

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records

Show feature table

Start	End	DB	Term	Name
1	90	ProSiteProfiles	PS50987	ArsR-type HTH domain profile.
1	90	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
8	84	CDD	cd00090	HTH_ARSR
8	84	InterPro	IPR011991	ArsR-like helix-turn-helix domain
13	58	Pfam	PF01022	Bacterial regulatory protein, arsR family
13	58	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
5	78	NCBIfam	NF033788	metalloregulator ArsR/SmtB family transcription factor
6	84	SMART	SM00418	arsrmega2
6	84	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
4	87	PANTHER	PTHR33154	TRANSCRIPTIONAL REGULATOR, ARSR FAMILY
3	83	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
3	83	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
1	91	Gene3D	G3DSA:1.10.10.10	-
1	91	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
41	56	PRINTS	PR00778	Bacterial regulatory protein ArsR family signature
41	56	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
56	71	PRINTS	PR00778	Bacterial regulatory protein ArsR family signature
56	71	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
8	23	PRINTS	PR00778	Bacterial regulatory protein ArsR family signature
8	23	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
28	39	PRINTS	PR00778	Bacterial regulatory protein ArsR family signature
28	39	InterPro	IPR001845	HTH ArsR-type DNA-binding domain
3	95	FunFam	G3DSA:1.10.10.10:FF:000279	Transcriptional regulator, ArsR family

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 PA2277	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
1				0.812
2				0.478

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
ARS	6J0E	A0A5H1ZR36	74.9 Da LogP -0.38 TPSA 0.0	✓ Ro5	✓ Clean	`[As]`
LSY	6O8M	D5AT91	174.2 Da LogP -0.56 TPSA 64.7	✓ Ro5	✓ Clean	`CN(C)C(=O)NNC(=O)N(C)C`

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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1737055	0.556	200.2 Da LogP -0.00 TPSA 64.7	✓ Ro5	✓ Clean	`CN(C)C(=O)N/C=C/NC(=O)N(C)C`
ZINC5328521	0.556	200.2 Da LogP -0.00 TPSA 64.7	✓ Ro5	✓ Clean	`CN(C)C(=O)N/C=C\NC(=O)N(C)C`
ZINC1636947	0.500	202.3 Da LogP -0.13 TPSA 64.7	✓ Ro5	✓ Clean	`CC(NC(=O)N(C)C)NC(=O)N(C)C`

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.

PA2277