Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2953
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2953
Status: annotated
Amino acids: 551
Structure source: AlphaFold

EC

1.5.5.1

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:0004174 Catalysis of the reaction: a ubiquinone + reduced [electron-transfer flavoprotein] = a ubiquinol + H+ + oxidized [electron-transfer flavoprotein]. GO:0046872 Binding to a metal ion. GO:0022900 A process in which a series of electron carriers operate together to transfer electrons from donors to any of several different terminal electron acceptors.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 65.169
Human E-value: 2.7e-29
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 0.662

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MEREYMEFDVVIVGAGPAGLSAACRLKQKAAEAGQEISVCVVEKGSEVGAHILSGAVFEPRALNELFPDWKELGAPLNTPVTGDDIYVLKSAESATKVPNFFVPKTMHNEGNYIISLGNLCRWLAQQAEGLGVEIYPGFAAQEALIDENGVVRGIVTGDLGVDREGNPKEGYYTPGMELRAKYTLFAEGCRGHIGKQLIKKYNLDSEADAQHYGIGIKEIWDIDPSKHKPGLVVHTAGWPLNDENTGGSFLYHLENNQVFVGLIIDLSYSNPHLSPFDEFQRYKHHPVVKQYLEGGKRVAYGARAICKGGLNSLPKMVFPGGALIGCDLGTLNFAKIKGSHTAMKSGMLAADAIAEALAAGREGGDELSSYVDAFKASWLYDELFRSRNFGAAIHKFGAIGGGAFNFIDQNIFGGKIPVTLHDDKPDYACLKKASEAPKIDYPKPDGKLSFDKLSSVFLSNTNHEEDQPIHLKLADASIPIEKNLPLYDEPAQRYCPAGVYEVVANDDGSKRFQINAQNCVHCKTCDIKDPAQNITWVAPEGTGGPNYPNM

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

1.5.5.1

Gene Ontology (GO)

4

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:0004174 Catalysis of the reaction: a ubiquinone + reduced [electron-transfer flavoprotein] = a ubiquinol + H+ + oxidized [electron-transfer flavoprotein].
GO:0046872 Binding to a metal ion.
GO:0022900 A process in which a series of electron carriers operate together to transfer electrons from donors to any of several different terminal electron acceptors.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
447	548	Pfam	PF05187	Electron transfer flavoprotein-ubiquinone oxidoreductase, 4Fe-4S
12	57	Pfam	PF13450	NAD(P)-binding Rossmann-like domain
212	307	SUPERFAMILY	SSF54373	FAD-linked reductases, C-terminal domain
6	387	Gene3D	G3DSA:3.50.50.60	-
6	387	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
452	546	FunFam	G3DSA:3.30.70.20:FF:000012	Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial
1	24	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
2	449	SUPERFAMILY	SSF51905	FAD/NAD(P)-binding domain
2	449	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
79	451	Gene3D	G3DSA:3.30.9.90	-
180	195	PRINTS	PR00420	Aromatic-ring hydroxylase (flavoprotein monooxygenase) signature
9	31	PRINTS	PR00420	Aromatic-ring hydroxylase (flavoprotein monooxygenase) signature
452	546	Gene3D	G3DSA:3.30.70.20	-
1	551	PANTHER	PTHR10617	ELECTRON TRANSFER FLAVOPROTEIN-UBIQUINONE OXIDOREDUCTASE
1	551	InterPro	IPR040156	Electron transfer flavoprotein-ubiquinone oxidoreductase
511	540	ProSiteProfiles	PS51379	4Fe-4S ferredoxin-type iron-sulfur binding domain profile.
511	540	InterPro	IPR017896	4Fe-4S ferredoxin-type, iron-sulphur binding domain
451	551	SUPERFAMILY	SSF54862	4Fe-4S ferredoxins

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 PA2953	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				0.662

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
TBU	2GMJ	P55931	74.1 Da LogP 0.78 TPSA 20.2	✓ Ro5	✓ Clean	`CC(C)(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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC2557605	0.500	200.4 Da LogP 3.86 TPSA 20.2	✓ Ro5	✓ Clean	`CC(C)(C)C(O)(C(C)(C)C)C(C)(C)C`

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.

PA2953