Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1045
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1045 dinG
Status: annotated
Amino acids: 714
Structure source: AlphaFold

EC

5.6.2.3

GO

GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands. GO:0043139 Unwinding a DNA helix in the 5' to 3' direction, driven by ATP hydrolysis. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient. GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0003678 Unwinding of a DNA helix, driven by ATP hydrolysis.

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 0.619

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 14 GO

Enzyme Commission (EC)

1

5.6.2.3

Gene Ontology (GO)

14

GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
GO:0043139 Unwinding a DNA helix in the 5' to 3' direction, driven by ATP hydrolysis.
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0003678 Unwinding of a DNA helix, driven by ATP hydrolysis.
GO:0033677 Unwinding of a DNA/RNA duplex, i.e. a double helix in which a strand of DNA pairs with a complementary strand of RNA, driven by ATP hydrolysis.
GO:0046872 Binding to a metal ion.
GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.
GO:0009432 An error-prone process for repairing damaged microbial DNA.
GO:0016818 Catalysis of the hydrolysis of any acid anhydride which contains phosphorus.
GO:0006139 Any cellular metabolic process involving nucleobases, nucleosides, nucleotides and nucleic acids.
GO:0003676 Binding to a nucleic acid.
GO:0004386 Catalysis of the reaction: ATP + H2O = ADP + phosphate, to drive the unwinding of a DNA or RNA helix.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records

Show feature table

Start	End	DB	Term	Name
1	471	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
32	714	Hamap	MF_02205	ATP-dependent DNA helicase DinG [dinG].
32	714	InterPro	IPR039000	ATP-dependent DNA helicase DinG
526	706	Gene3D	G3DSA:3.40.50.300	-
526	706	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
57	689	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
57	689	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
23	302	Gene3D	G3DSA:3.40.50.300	-
23	302	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
15	307	ProSiteProfiles	PS51193	Superfamilies 1 and 2 helicase ATP-binding type-2 domain profile.
15	307	InterPro	IPR014013	Helicase superfamily 1/2, ATP-binding domain, DinG/Rad3-type
23	304	FunFam	G3DSA:3.40.50.300:FF:001058	ATP-dependent DNA helicase DinG
553	708	Pfam	PF13307	Helicase C-terminal domain
553	708	InterPro	IPR006555	ATP-dependent helicase, C-terminal
562	695	SMART	SM00491	Cxpdneu3
562	695	InterPro	IPR006555	ATP-dependent helicase, C-terminal
493	714	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
527	714	FunFam	G3DSA:3.40.50.300:FF:000437	ATP-dependent DNA helicase DinG
25	712	PANTHER	PTHR11472	DNA REPAIR DEAD HELICASE RAD3/XP-D SUBFAMILY MEMBER
25	712	InterPro	IPR045028	Helicase superfamily 1/2, DinG/Rad3-like
472	492	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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 PA1045	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
2				0.619
7				0.307

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
BEF	6FWS	P27296	66.0 Da LogP 0.88 TPSA 0.0	✓ Ro5	✓ Clean	`[Be-](F)(F)F`

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.

PA1045