Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1866
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1866
Status: annotated
Amino acids: 758
Structure source: AlphaFold

GO

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. 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:0016818 Catalysis of the hydrolysis of any acid anhydride which contains phosphorus. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 28.462
Human E-value: 8.03e-09
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 0.707

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MTEQGGEALYQVAVRALCEFSAKRGDLDLRFTPSPSALEGIAGHTLVTSRRPAHYQREVALDGRYRHLQVRGRADGYDPQANCLEEIKTHRGDLALQPANHRHLHWAQARVYGWLLCAERKLEEVELALVYLEVGSQKETRFVERVRADELRLFFESQCQAFLAWAEQELAHRQRRDRELAALRFPHAEFRHGQRQLAEAVYKAASAGCCLMAQAPTGIGKTIGTLFPQLKAMPGQRLDRLFFLAAKTPGRALALHALRSLEGETGGLPVRVLELVARDKACEHPDKACHGESCPLAQGFYERLPAARAAAVEARWLDQARLREVALAHRVCPYYLGQELARWCDLAVGDYNYYFDLGAMLHGLAQVNQWRVAVLVDEAHNLVERGRRMYSAELDQGDFLGVRKTAPEALRKPLERIQRAWNELGKTQADDYQAYDEPPQKLLLALQNAVAAINDLLAEQPQALEPALQEFYFAILQFGRLAELFGEHSLFDIEKRPGRNGRSLARLCLRNVVPAAFLAERFAASRSTVLFSATLGPRDYYADLLGLPAGTPWLEVDSPFSAEQLEVHIQRRVSTRYAQRQASLAPIAAILGEQFRQRPGNYLAFFSSFDYLQQALDVFRQAYPWVPCWSQTPRMDEAERRVFLERFVAGGEGIGFAVLGGAFGEGIDLPGERLIGAFIATLGLPQVNPVNEQIRLRMQRLFGDGYDYTYLYPGLQKVVQAAGRVIRSRSDRGVVHLIDDRFAQAKVRRLLPGWWQLR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

9 GO

Gene Ontology (GO)

9

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
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:0016818 Catalysis of the hydrolysis of any acid anhydride which contains phosphorus.
GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
GO:0046872 Binding to a metal ion.
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.

22 records

Show feature table

Start	End	DB	Term	Name
180	436	ProSiteProfiles	PS51193	Superfamilies 1 and 2 helicase ATP-binding type-2 domain profile.
180	436	InterPro	IPR014013	Helicase superfamily 1/2, ATP-binding domain, DinG/Rad3-type
562	758	Gene3D	G3DSA:3.40.50.300	-
562	758	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
609	744	SMART	SM00491	Cxpdneu3
609	744	InterPro	IPR006555	ATP-dependent helicase, C-terminal
391	510	Gene3D	G3DSA:1.10.275.30	-
278	396	Pfam	PF06733	DEAD_2
278	396	InterPro	IPR010614	RAD3-like helicase, DEAD
155	538	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
155	538	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
595	756	Pfam	PF13307	Helicase C-terminal domain
595	756	InterPro	IPR006555	ATP-dependent helicase, C-terminal
18	181	Gene3D	G3DSA:3.90.320.10	-
18	181	InterPro	IPR011604	PD-(D/E)XK endonuclease-like domain superfamily
193	548	Gene3D	G3DSA:3.40.50.300	-
193	548	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
184	756	PANTHER	PTHR11472	DNA REPAIR DEAD HELICASE RAD3/XP-D SUBFAMILY MEMBER
184	756	InterPro	IPR045028	Helicase superfamily 1/2, DinG/Rad3-like
193	421	FunFam	G3DSA:3.40.50.300:FF:001813	ATP-dependent DNA helicase
520	739	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
520	739	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase

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 PA1866	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				0.707
10				0.498

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.

2 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
FC6	3CRW	Q4JC68	212.0 Da LogP 0.10 TPSA 142.7	✓ Ro5	✓ Clean	`C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N`
FLC	3CRV	Q4JC68	189.1 Da LogP -5.25 TPSA 140.6	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O`

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.

PA1866