Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA5351
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: alkG1 rubA1 PA5351
Status: annotated
Amino acids: 55
Structure source: AlphaFold

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways. GO:0005506 Binding to an iron (Fe) ion. GO:0043448 The chemical reactions and pathways resulting in the breakdown of an alkane, any acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): Y
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 0.428

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways.
GO:0005506 Binding to an iron (Fe) ion.
GO:0043448 The chemical reactions and pathways resulting in the breakdown of an alkane, any acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2.
GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
1	54	PANTHER	PTHR47627	RUBREDOXIN
3	49	Pfam	PF00301	Rubredoxin
3	49	InterPro	IPR024935	Rubredoxin domain
1	55	PIRSF	PIRSF000071	Rubredoxin
1	55	InterPro	IPR024922	Rubredoxin
3	52	CDD	cd00730	rubredoxin
3	52	InterPro	IPR024935	Rubredoxin domain
1	52	ProSiteProfiles	PS50903	Rubredoxin-like domain profile.
1	52	InterPro	IPR024934	Rubredoxin-like domain
1	54	FunFam	G3DSA:2.20.28.10:FF:000001	Rubredoxin
1	53	SUPERFAMILY	SSF57802	Rubredoxin-like
1	55	Gene3D	G3DSA:2.20.28.10	-
33	43	ProSitePatterns	PS00202	Rubredoxin signature.
33	43	InterPro	IPR018527	Rubredoxin, iron-binding site
3	19	PRINTS	PR00163	Rubredoxin signature
3	19	InterPro	IPR024935	Rubredoxin domain
33	49	PRINTS	PR00163	Rubredoxin signature
33	49	InterPro	IPR024935	Rubredoxin domain

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 PA5351	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				0.428

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
D3O	4AR3	P24297	22.0 Da LogP -0.92 TPSA 33.0	✓ Ro5	✓ Clean	`[2H][O+]([2H])[2H]`
FOR	1RDG	P00270	30.0 Da LogP -0.18 TPSA 17.1	✓ Ro5	✓ Clean	`C=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.

PA5351