Protein profile

PA0275

transcriptional regulator

Genome: NC_002516.2

Gene: PA0275 Structure source: AlphaFold UniProt Q9I6L5

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Amino acids 228

Annotations 4

Features 23

PDB binders 6

Druggability 0.84

Overview

Basic information about this protein and its source genome.

Accession: PA0275
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0275
Status: annotated
Amino acids: 228
Structure source: AlphaFold

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. 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 0.84

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:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
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.

23 records

Show feature table

Start	End	DB	Term	Name
154	224	Pfam	PF13545	Crp-like helix-turn-helix domain
154	224	InterPro	IPR012318	Crp-type HTH domain
16	134	SMART	SM00100	cnmp_10
16	134	InterPro	IPR000595	Cyclic nucleotide-binding domain
150	220	ProSiteProfiles	PS51063	Crp-type HTH domain profile.
150	220	InterPro	IPR012318	Crp-type HTH domain
1	150	Gene3D	G3DSA:2.60.120.10	Jelly Rolls
1	150	InterPro	IPR014710	RmlC-like jelly roll fold
34	121	Pfam	PF00027	Cyclic nucleotide-binding domain
34	121	InterPro	IPR000595	Cyclic nucleotide-binding domain
11	141	SUPERFAMILY	SSF51206	cAMP-binding domain-like
11	141	InterPro	IPR018490	Cyclic nucleotide-binding domain superfamily
16	119	ProSiteProfiles	PS50042	cAMP/cGMP binding motif profile.
16	119	InterPro	IPR000595	Cyclic nucleotide-binding domain
170	218	SMART	SM00419	crpmeuga4
170	218	InterPro	IPR012318	Crp-type HTH domain
152	225	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
152	225	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
11	225	PANTHER	PTHR24567	CRP FAMILY TRANSCRIPTIONAL REGULATORY PROTEIN
151	225	Gene3D	G3DSA:1.10.10.10	-
151	225	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
16	130	CDD	cd00038	CAP_ED
16	130	InterPro	IPR000595	Cyclic nucleotide-binding domain

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 PA0275	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				0.84
2				0.219

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.

56 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
AKG	2XHK	P29283	146.1 Da LogP -0.50 TPSA 91.7	✓ Ro5	✓ Clean	`C(CC(=O)O)C(=O)C(=O)O`
BTB	2XGX	P29283	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
N6R	3I59	P9WMH3	447.4 Da LogP 1.64 TPSA 140.8	✓ Ro5	✓ Clean	`C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]…`
N6S	3I59	P9WMH3	447.4 Da LogP 1.64 TPSA 140.8	✓ Ro5	✓ Clean	`C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H…`
PCG	4N9I	C3SQJ7	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)…`
SP1	4R8H	P0ACJ8	345.3 Da LogP -0.70 TPSA 137.8	✓ Ro5	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)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
ZINC12501894	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@@H]…`
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC31474923	0.761	419.3 Da LogP 1.21 TPSA 140.8	✓ Ro5	✓ Clean	`O=[P@@]1(O)OC[C@H]2O[C@@H](n3cnc4c(NCc5ccccc5)n…`
ZINC13829346	0.689	433.3 Da LogP 0.85 TPSA 157.9	✓ Ro5	✓ Clean	`O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)…`
ZINC44559643	0.689	433.3 Da LogP 0.85 TPSA 157.9	✓ Ro5	✓ Clean	`O=C(Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC13516498	0.662	399.3 Da LogP 0.34 TPSA 157.9	✓ Ro5	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC14948944	0.662	399.3 Da LogP 0.34 TPSA 157.9	✓ Ro5	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC256769854	0.662	399.3 Da LogP 0.34 TPSA 157.9	✓ Ro5	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC256769855	0.662	399.3 Da LogP 0.34 TPSA 157.9	✓ Ro5	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC12502230	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@…`
ZINC3581269	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H…`
ZINC3869448	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C@@H]…`
ZINC3869449	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(O)O[C@@H…`
ZINC3869450	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C@@H]…`
ZINC3869451	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(O)O[C@@H…`
ZINC3873977	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H…`
ZINC4245698	0.606	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@…`
ZINC34206393	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2F)c…`
ZINC3783111	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)…`
ZINC3797144	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c…`
ZINC3950	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(…`
ZINC5848	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c…`
ZINC6119309	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c…`
ZINC6585361	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)c(…`
ZINC66155299	0.538	285.2 Da LogP -1.71 TPSA 139.3	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c…`
ZINC1616450	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1`
ZINC5600257	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@H]1CCCN1)[C@H]1CCCN1`
ZINC8655607	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@H]1CCCN1)[C@@H]1CCCN1`
ZINC4095503	0.533	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O…`
ZINC4533542	0.533	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC4533545	0.533	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC4899613	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1`
ZINC4974454	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CCCN1C(=O)[C@H]1CCCN1`
ZINC4974455	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1`
ZINC4974456	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1`
ZINC757216905	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@@H]([C@@H]2CCCNC2)CCN1`
ZINC757216906	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@H]([C@@H]2CCCNC2)CCN1`
ZINC757216908	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@@H]([C@H]2CCCNC2)CCN1`
ZINC757216910	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@H]([C@H]2CCCNC2)CCN1`
ZINC11616172	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC13718644	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC1529045110	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(…`
ZINC33998808	0.530	441.4 Da LogP 2.64 TPSA 129.8	✓ Ro5	✓ Clean	`CCCCNc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O…`
ZINC3861742	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC3871786	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O…`
ZINC3871787	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(…`
ZINC3871788	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O…`
ZINC3871789	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(…`
ZINC4245601	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)…`
ZINC4257714	0.530	469.4 Da LogP 1.69 TPSA 164.0	1 viol.	✓ Clean	`CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=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.