Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA3381
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3381
Status: annotated
Amino acids: 240
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: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): 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 0.742

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MRPFQTMHLSRQSEPLYRELAERLRQELLAYRPGDYLPGEIQLAQRFAVNRHTLRRALDELVLEGRVLRRQGKGTQVLEAPTIYPMGAANAYTESLSAQGHRVEARLLEARQRPAGAVEATHLGIGEGGRVLELTTLRYLDGQPVSLIRHCYAVSRSELLADYQGGSLRRYLADKGLPLTRTYSLIGARLPNREEAARLLMPRHAPLLTVLTLSRDRTGQPVELAQSISRADRFQYQVAP

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3

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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

27 records

Show feature table

Start	End	DB	Term	Name
86	239	FunFam	G3DSA:3.40.1410.10:FF:000021	Phosphonate metabolism transcriptional regulator PhnF
98	235	SMART	SM00866	UTRA_2
98	235	InterPro	IPR011663	UbiC transcription regulator-associated
12	89	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
12	89	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
14	80	ProSiteProfiles	PS50949	GntR-type HTH domain profile.
14	80	InterPro	IPR000524	Transcription regulator HTH, GntR
20	77	SMART	SM00345	gntr3
20	77	InterPro	IPR000524	Transcription regulator HTH, GntR
98	235	Pfam	PF07702	UTRA domain
65	238	SUPERFAMILY	SSF64288	Chorismate lyase-like
65	238	InterPro	IPR028978	Chorismate pyruvate-lyase/UbiC transcription regulator-associated domain superfamily
10	237	PANTHER	PTHR44846	MANNOSYL-D-GLYCERATE TRANSPORT/METABOLISM SYSTEM REPRESSOR MNGR-RELATED
9	82	Gene3D	G3DSA:1.10.10.10	-
9	82	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
37	51	PRINTS	PR00035	GntR bacterial regulatory protein HTH signature
37	51	InterPro	IPR000524	Transcription regulator HTH, GntR
51	67	PRINTS	PR00035	GntR bacterial regulatory protein HTH signature
51	67	InterPro	IPR000524	Transcription regulator HTH, GntR
15	77	CDD	cd07377	WHTH_GntR
15	77	InterPro	IPR000524	Transcription regulator HTH, GntR
16	77	Pfam	PF00392	Bacterial regulatory proteins, gntR family
16	77	InterPro	IPR000524	Transcription regulator HTH, GntR
86	239	Gene3D	G3DSA:3.40.1410.10	-
86	239	InterPro	IPR028978	Chorismate pyruvate-lyase/UbiC transcription regulator-associated domain superfamily
16	238	NCBIfam	TIGR02325	phosphonate metabolism transcriptional regulator PhnF
16	238	InterPro	IPR012702	Phosphonate C-P lyase system, transcriptional regulator PhnF

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 PA3381	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				0.742
2				0.21
5				0.205

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.

1 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
FLC	3CNV	A0A0H3LYW6	189.1 Da LogP -5.25 TPSA 140.6	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[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.

PA3381