Protein profile

PA4704

cAMP-binding protein A

Genome: NC_002516.2

Gene: cbpA PA4704 Structure source: AlphaFold UniProt Q9HV93

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Amino acids 265

Annotations 3

Features 21

PDB binders 4

Druggability 0.831

Overview

Basic information about this protein and its source genome.

Accession: PA4704
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: cbpA PA4704
Status: annotated
Amino acids: 265
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:0030552 Binding to cAMP, the nucleotide cyclic AMP (adenosine 3',5'-cyclophosphate). 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.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 24.242
Human E-value: 9.75e-06
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 0.831

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 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:0030552 Binding to cAMP, the nucleotide cyclic AMP (adenosine 3',5'-cyclophosphate).
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.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records

Show feature table

Start	End	DB	Term	Name
128	246	SMART	SM00100	cnmp_10
128	246	InterPro	IPR000595	Cyclic nucleotide-binding domain
144	263	FunFam	G3DSA:2.60.120.10:FF:000191	Cyclic nucleotide-binding domain-containing protein
152	234	Pfam	PF00027	Cyclic nucleotide-binding domain
152	234	InterPro	IPR000595	Cyclic nucleotide-binding domain
144	242	CDD	cd00038	CAP_ED
144	242	InterPro	IPR000595	Cyclic nucleotide-binding domain
194	203	PRINTS	PR00103	cAMP-dependent protein kinase signature
169	183	PRINTS	PR00103	cAMP-dependent protein kinase signature
154	168	PRINTS	PR00103	cAMP-dependent protein kinase signature
206	217	PRINTS	PR00103	cAMP-dependent protein kinase signature
144	263	Gene3D	G3DSA:2.60.120.10	Jelly Rolls
144	263	InterPro	IPR014710	RmlC-like jelly roll fold
104	258	PANTHER	PTHR24567	CRP FAMILY TRANSCRIPTIONAL REGULATORY PROTEIN
152	248	ProSiteProfiles	PS50042	cAMP/cGMP binding motif profile.
152	248	InterPro	IPR000595	Cyclic nucleotide-binding domain
151	259	SUPERFAMILY	SSF51206	cAMP-binding domain-like
151	259	InterPro	IPR018490	Cyclic nucleotide-binding domain superfamily
242	262	Coils	Coil	Coil
160	176	ProSitePatterns	PS00888	Cyclic nucleotide-binding domain signature 1.
160	176	InterPro	IPR018488	Cyclic nucleotide-binding, conserved site

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 PA4704	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				0.831
12				0.324

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.

54 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
75G	5T3N	Q7KQK0	379.7 Da LogP 0.77 TPSA 134.6	✓ Ro5	✓ Clean	`c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P…`
N2P	4OFG	Q8I719	102.2 Da LogP 0.07 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCN)CCN`
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]…`
ZINC1685531	1.000	200.4 Da LogP 2.80 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCN`
ZINC34273707	1.000	256.5 Da LogP 4.37 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCCCN`
ZINC5178646	1.000	228.4 Da LogP 3.59 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCN`
ZINC12502230	0.619	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@…`
ZINC3581269	0.619	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	0.619	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	0.619	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	0.619	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	0.619	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	0.619	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	0.619	329.2 Da LogP -0.82 TPSA 154.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@…`
ZINC1545440	0.615	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC2385445	0.615	201.4 Da LogP 2.84 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCO`
ZINC34196183	0.615	229.4 Da LogP 3.62 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCO`
ZINC38585283	0.615	203.4 Da LogP 3.39 TPSA 26.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCS`
ZINC5158647	0.580	357.3 Da LogP 0.23 TPSA 143.8	1 viol.	✓ Clean	`CCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[…`
ZINC5158648	0.580	357.3 Da LogP 0.23 TPSA 143.8	1 viol.	✓ Clean	`CCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C…`
ZINC5158649	0.580	357.3 Da LogP 0.23 TPSA 143.8	1 viol.	✓ Clean	`CCO[P@@]1(=O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)…`
ZINC5158650	0.580	357.3 Da LogP 0.23 TPSA 143.8	1 viol.	✓ Clean	`CCO[P@]1(=O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[…`
ZINC1598087	0.571	215.4 Da LogP 1.61 TPSA 64.1	✓ Ro5	✓ Clean	`NCCCCCCNCCCCCCN`
ZINC4976488	0.559	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1OC[C@@H](O)[C@@H](O)[C@…`
ZINC4976489	0.559	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@@H](O)[C…`
ZINC4976490	0.559	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1OC[C@@H](O)[C@@H](O)[C@…`
ZINC4976492	0.559	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1OC[C@@H](O)[C@@H](O)[C…`
ZINC33494013	0.559	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]…`
ZINC4095501	0.559	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]3…`
ZINC88465990	0.559	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]…`
ZINC38580945	0.554	443.4 Da LogP 0.11 TPSA 192.9	1 viol.	✓ Clean	`NCCCCCCNc1nc(N)c2ncn([C@@H]3O[C@@H]4CO[P@](=O)(…`
ZINC38580931	0.552	345.2 Da LogP -1.58 TPSA 168.9	✓ Ro5	✓ Clean	`Nc1c2ncn([C@@H]3O[C@@H]4CO[P@](=O)(O)O[C@H]4[C@…`
ZINC12405882	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@…`
ZINC13544577	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@…`
ZINC2040953	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@…`
ZINC26575945	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H…`
ZINC3875976	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@…`
ZINC4475112	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H…`
ZINC4536052	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@…`
ZINC4536053	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C…`
ZINC4536054	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@…`
ZINC4536057	0.541	301.7 Da LogP -1.33 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C…`
ZINC4095503	0.537	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	0.537	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	0.537	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…`
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`
ZINC38580930	0.534	401.3 Da LogP -0.27 TPSA 170.1	1 viol.	✓ Clean	`CC(=O)OCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)nc…`
ZINC38627784	0.534	401.3 Da LogP -0.27 TPSA 170.1	1 viol.	✓ Clean	`CC(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncn…`
ZINC4899613	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1`
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`

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.