Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2244
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2244 pslN
Status: annotated
Amino acids: 333
Structure source: AlphaFold

EC

5.6.2.1

GO

GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0003917 Catalysis of a DNA topological transformation by transiently cleaving one DNA strand at a time to allow passage of another strand; changes the linking number by +1 per catalytic cycle. GO:0006265 The process in which a transformation is induced in the topological structure of a double-stranded DNA helix, resulting in a change in linking number.

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 0.746

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MSAAPPDIPALPAGLCYVDDRQPGIRRRRQGKRFVYFDADGQRIGDAEEIRRLDKLAIPPAYREVWICPDPNGHLQATGRDARGRKQYRYHPRWREVRDADKYERLLRFGQALPRLRRHIDAQLRLPGLGRDKVVALAVALLDATLIRVGNHRYARDNRSYGLTTLRTRHVDVNGSRIRFRFKGKSGIEHDVSLEHPRLARVLRRCLELPGQDLLQYLDEDGQPHRIGSHDINEYLRRHTGEDFSAKDYRTWAGSALALERLRRAEADGLGAVVAEVAAELGNSVAICRQCYIHPAIIEAYQAGQLGQLRRARKRRWLSAEEATLLAFLDTPG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

5.6.2.1

Gene Ontology (GO)

3

GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0003917 Catalysis of a DNA topological transformation by transiently cleaving one DNA strand at a time to allow passage of another strand; changes the linking number by +1 per catalytic cycle.
GO:0006265 The process in which a transformation is induced in the topological structure of a double-stranded DNA helix, resulting in a change in linking number.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
18	100	Gene3D	G3DSA:3.30.66.10	DNA topoisomerase I domain
18	100	InterPro	IPR035447	DNA topoisomerase I, N-terminal
94	268	Pfam	PF01028	Eukaryotic DNA topoisomerase I, catalytic core
94	268	InterPro	IPR013500	DNA topoisomerase I, catalytic core, eukaryotic-type
34	95	SUPERFAMILY	SSF55869	DNA topoisomerase I domain
34	95	InterPro	IPR035447	DNA topoisomerase I, N-terminal
90	306	SUPERFAMILY	SSF56349	DNA breaking-rejoining enzymes
90	306	InterPro	IPR011010	DNA breaking-rejoining enzyme, catalytic core
102	324	Gene3D	G3DSA:1.10.132.120	-
134	153	PRINTS	PR00416	Eukaryotic DNA topoisomerase I signature
134	153	InterPro	IPR001631	DNA topoisomerase I
178	194	PRINTS	PR00416	Eukaryotic DNA topoisomerase I signature
178	194	InterPro	IPR001631	DNA topoisomerase I
243	257	PRINTS	PR00416	Eukaryotic DNA topoisomerase I signature
243	257	InterPro	IPR001631	DNA topoisomerase I
157	171	PRINTS	PR00416	Eukaryotic DNA topoisomerase I signature
157	171	InterPro	IPR001631	DNA topoisomerase I
125	244	Gene3D	G3DSA:3.90.15.10	Topoisomerase I; Chain A, domain 3
125	244	InterPro	IPR014711	DNA topoisomerase I, catalytic core, alpha-helical subdomain, eukaryotic-type

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 PA2244	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
4				0.746

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
VO4	3IGC	P32989	114.9 Da LogP -3.69 TPSA 86.2	✓ Ro5	✓ Clean	`[O-][V](=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.

PA2244