Protein profile

PA1290

transcriptional regulator

Genome: NC_002516.2

Gene: PA1290 Structure source: AlphaFold UniProt Q9I454

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Amino acids 197

Annotations 4

Features 14

PDB binders 10

Druggability 0.978

Overview

Basic information about this protein and its source genome.

Accession: PA1290
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1290
Status: annotated
Amino acids: 197
Structure source: AlphaFold

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: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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

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 0.978

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

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: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: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.

14 records

Show feature table

Start	End	DB	Term	Name
30	61	ProSitePatterns	PS01081	TetR-type HTH domain signature.
30	61	InterPro	IPR023772	DNA-binding HTH domain, TetR-type, conserved site
18	31	PRINTS	PR00455	TetR bacterial regulatory protein HTH signature
18	31	InterPro	IPR001647	DNA-binding HTH domain, TetR-type
39	62	PRINTS	PR00455	TetR bacterial regulatory protein HTH signature
39	62	InterPro	IPR001647	DNA-binding HTH domain, TetR-type
3	195	Gene3D	G3DSA:1.10.357.10	Tetracycline Repressor, domain 2
5	86	SUPERFAMILY	SSF46689	Homeodomain-like
5	86	InterPro	IPR009057	Homeobox-like domain superfamily
18	64	Pfam	PF00440	Bacterial regulatory proteins, tetR family
18	64	InterPro	IPR001647	DNA-binding HTH domain, TetR-type
12	72	ProSiteProfiles	PS50977	TetR-type HTH domain profile.
12	72	InterPro	IPR001647	DNA-binding HTH domain, TetR-type
4	196	PANTHER	PTHR30055	HTH-TYPE TRANSCRIPTIONAL REGULATOR RUTR

3D Structure

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

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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 PA1290	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				0.978

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.

60 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
69Y	5ICJ	O53623	340.3 Da LogP 3.51 TPSA 41.9	✓ Ro5	✓ Clean	`c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F`
DG	5K7Z	Q1D4I5	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N…`
GNK	6HRW	O53623	263.8 Da LogP 3.08 TPSA 20.3	✓ Ro5	✓ Clean	`c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl`
GNW	6HS0	O53623	210.7 Da LogP 1.75 TPSA 15.3	✓ Ro5	✓ Clean	`c1cc(cc(c1)Cl)CN2CCNCC2`
GNZ	6HS2	O53623	297.3 Da LogP 3.44 TPSA 20.3	✓ Ro5	✓ Clean	`c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F`
GO2	6HRZ	O53623	192.2 Da LogP 1.60 TPSA 74.8	✓ Ro5	✓ Clean	`[H]/N=C(/N)\Nc1nc2ccccc2s1`
GO5	6HS1	O53623	277.8 Da LogP 3.47 TPSA 20.3	✓ Ro5	✓ Clean	`c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl`
GO8	6HRX	O53623	209.3 Da LogP 1.44 TPSA 80.5	✓ Ro5	✓ Clean	`CC(C)Sc1[nH]c2c(ncnc2n1)N`
GOE	6HRY	O53623	193.2 Da LogP 1.92 TPSA 54.0	✓ Ro5	✓ Clean	`CCCNC(=O)Nc1cccc(n1)C`
IVC	5K7H	Q1D4I5	851.7 Da LogP -0.29 TPSA 363.6	3 viol.	✓ Clean	`CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=…`

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
ZINC12296728	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)…`
ZINC13527599	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O…`
ZINC13527603	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)…`
ZINC1532627	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)…`
ZINC1730395	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O…`
ZINC19230053	1.000	210.7 Da LogP 1.75 TPSA 15.3	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCNCC2)c1`
ZINC3869846	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O…`
ZINC3869847	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2…`
ZINC3869848	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O…`
ZINC19266142	0.879	224.7 Da LogP 2.14 TPSA 15.3	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCCNCC2)c1`
ZINC12503703	0.860	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…`
ZINC8215878	0.860	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…`
ZINC6783144	0.833	207.3 Da LogP 2.31 TPSA 54.0	✓ Ro5	✓ Clean	`CCCCNC(=O)Nc1cccc(C)n1`
ZINC19832115	0.767	335.3 Da LogP 4.31 TPSA 6.5	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1`
ZINC97109203	0.757	236.3 Da LogP 0.65 TPSA 83.1	✓ Ro5	✓ Clean	`CC(=O)NCCNC(=O)Nc1cccc(C)n1`
ZINC10512	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[…`
ZINC3869839	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[n…`
ZINC3983944	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[…`
ZINC404254	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[…`
ZINC404255	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[n…`
ZINC404256	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n…`
ZINC404257	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH…`
ZINC8613543	0.745	267.2 Da LogP -1.66 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)…`
ZINC68604888	0.742	360.6 Da LogP -0.32 TPSA 54.6	✓ Ro5	✓ Clean	`c1cc(CN2CCNCCNCC2)cc(CN2CCNCCNCC2)c1`
ZINC12501413	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC12958448	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC1532555	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC16546189	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…`
ZINC2159505	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3073318	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869963	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…`
ZINC3869965	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…`
ZINC9334496	0.741	363.2 Da LogP -2.57 TPSA 206.0	1 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…`
ZINC4531685	0.737	332.2 Da LogP -1.12 TPSA 159.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](COP(=O)…`
ZINC4531686	0.737	332.2 Da LogP -1.12 TPSA 159.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](COP(=O)(…`
ZINC4531687	0.737	332.2 Da LogP -1.12 TPSA 159.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=O)…`
ZINC19537391	0.719	300.8 Da LogP 3.66 TPSA 6.5	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1`
ZINC19801189	0.714	224.7 Da LogP 1.79 TPSA 15.3	✓ Ro5	✓ Clean	`Clc1cccc(CCN2CCNCC2)c1`
ZINC39646465	0.714	229.3 Da LogP 2.43 TPSA 20.3	✓ Ro5	✓ Clean	`O=C1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1`
ZINC585141768	0.700	237.3 Da LogP 1.07 TPSA 80.3	✓ Ro5	✓ Clean	`CC(=O)OCCNC(=O)Nc1cccc(C)n1`
ZINC16958041	0.697	209.7 Da LogP 3.33 TPSA 3.2	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCCCC2)c1`
ZINC19781903	0.697	335.3 Da LogP 4.31 TPSA 6.5	✓ Ro5	✓ Clean	`Clc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1`
ZINC2811256	0.697	237.8 Da LogP 4.11 TPSA 3.2	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCCCCCC2)c1`
ZINC4977743	0.697	223.7 Da LogP 3.72 TPSA 3.2	✓ Ro5	✓ Clean	`Clc1cccc(CN2CCCCCC2)c1`
ZINC54166	0.697	242.3 Da LogP 2.74 TPSA 66.9	✓ Ro5	✓ Clean	`Cc1cccc(NC(=O)Nc2cccc(C)n2)n1`
ZINC14963236	0.689	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](OP(=O)(O)O)[C@@H](CO…`
ZINC14963244	0.689	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](OP(=O)(O)O)[C@@H](CO)…`
ZINC14963248	0.689	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)O)[C@@H](CO)O…`
ZINC4543681	0.689	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)O)[C@H](CO)O2…`
ZINC4543684	0.689	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](OP(=O)(O)O)[C@H](CO)O…`

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.