Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1261
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1261
Status: annotated
Amino acids: 224
Structure source: AlphaFold

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. 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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. 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:0045764 Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways involving amino acid. GO:0051957 Any process that activates, maintains or increases the frequency, rate or extent of the directed movement of amino acids into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

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 0.762

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MPGVVFFVKDERARYVLVNRTLARRCGVKDKAELLGRSADEVFPSSLGPLYAEQDRRVLRGGATLENQLELHLYPGRQPGWCLTHKQALRDADGAIIGMAGISHDLPAAQSAHPAYGRLAAVDAHIREHYDQPLSLADLTAIAGLSVAQLERHCKRIFQLTPRQMIHKARLGAASQLLAGDAPITEIALRCGYTDHSAFSRQFKALTGLSPSQYRETHRQPRKA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
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:0045764 Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways involving amino acid.
GO:0051957 Any process that activates, maintains or increases the frequency, rate or extent of the directed movement of amino acids into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
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.

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records

Show feature table

Start	End	DB	Term	Name
133	215	SMART	SM00342	aracneu4
133	215	InterPro	IPR018060	DNA binding HTH domain, AraC-type
118	223	Gene3D	G3DSA:1.10.10.60	-
25	217	PANTHER	PTHR46796	HTH-TYPE TRANSCRIPTIONAL ACTIVATOR RHAS-RELATED
1	112	Gene3D	G3DSA:3.30.450.20	PAS domain
140	216	Pfam	PF12833	Helix-turn-helix domain
140	216	InterPro	IPR018060	DNA binding HTH domain, AraC-type
4	106	Pfam	PF08448	PAS fold
4	106	InterPro	IPR013656	PAS fold-4
173	219	SUPERFAMILY	SSF46689	Homeodomain-like
173	219	InterPro	IPR009057	Homeobox-like domain superfamily
120	217	ProSiteProfiles	PS01124	Bacterial regulatory proteins, araC family DNA-binding domain profile.
120	217	InterPro	IPR018060	DNA binding HTH domain, AraC-type
4	101	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
4	101	InterPro	IPR035965	PAS domain superfamily
117	166	SUPERFAMILY	SSF46689	Homeodomain-like
117	166	InterPro	IPR009057	Homeobox-like domain superfamily
184	199	PRINTS	PR00032	AraC bacterial regulatory protein HTH signature
184	199	InterPro	IPR020449	Transcription regulator HTH, AraC- type
199	215	PRINTS	PR00032	AraC bacterial regulatory protein HTH signature
199	215	InterPro	IPR020449	Transcription regulator HTH, AraC- type
170	211	ProSitePatterns	PS00041	Bacterial regulatory proteins, araC family signature.
170	211	InterPro	IPR018062	HTH domain AraC-type, conserved site
6	106	CDD	cd00130	PAS
6	106	InterPro	IPR000014	PAS 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 PA1261	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				0.762

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.

7 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
BTB	3OOU	Q92A04	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`

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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC5297554	0.500	289.5 Da LogP 2.16 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCN(CCCCCC)C(CO)(CO)CO`
ZINC97941822	0.500	317.5 Da LogP 2.94 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCN(CCCCCCC)C(CO)(CO)CO`
ZINC97942927	0.500	373.6 Da LogP 4.51 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO`

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.

PA1261