Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA2906
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2906
Status: annotated
Amino acids: 486
Structure source: AlphaFold

GO

GO:0009337 A multisubunit iron flavoprotein, which in yeast is composed of 2 alpha and 2 beta subunits. Catalyzes the reduction of sulfite to sulfide. 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:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0046872 Binding to a metal ion. GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0000103 The pathways by which inorganic sulfate is processed and incorporated into sulfated compounds.

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 0.661

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MPTSGGVYRCRGLSLGDSGAVAATPIRVAFLNDDQTPAPLPVPRPSPCPGLLRIVQALDGGICRIKLDAGRLDAAQARAVAAAARDCASGVIETTNRSNLQLRGVRRGEEERLVRRLLDAGLGPRHGSLAGADDVRNLMLSPAAGLDPHLSLDVRPLAARLLLRLQADSRYHALSAKFAIQLDGGEDLAMLEHPHDIWLSPMPAAPTATLVFGLAGCPARDRPLAALPAERGESLVLALLDLFLERAQPQQTRMRHLLQELDGEPLLEALQARLDFPLRRDERVAAWRRSPGRPWSHLGVQPQRQPGLVMVGAAAPLGRLDSACLEGLAELVERHGDGSLRLTPWQGVLLPNLAHAEADQALLGLRGLGLLTEPDAPLARLIACSGSSACARGLADTKGDALRLAERLGPRSDLPQLHLCGCERSCAAAHRAPLTLLARSGGFYDLYRHDPCHPGFGQLLASRLTFATAADYLAALPSQPTSGKPA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7

GO:0009337 A multisubunit iron flavoprotein, which in yeast is composed of 2 alpha and 2 beta subunits. Catalyzes the reduction of sulfite to sulfide.
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:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
GO:0046872 Binding to a metal ion.
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
GO:0000103 The pathways by which inorganic sulfate is processed and incorporated into sulfated compounds.
GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
63	360	Gene3D	G3DSA:3.90.480.10	Sulfite Reductase Hemoprotein;Domain 2
245	372	SUPERFAMILY	SSF55124	Nitrite/Sulfite reductase N-terminal domain-like
245	372	InterPro	IPR036136	Nitrite/Sulfite reductase ferredoxin-like domain superfamily
378	479	FunFam	G3DSA:3.30.413.10:FF:000024	Nitrite reductase
131	291	FunFam	G3DSA:3.30.413.10:FF:000038	Probable oxidoreductase
132	274	Pfam	PF01077	Nitrite and sulphite reductase 4Fe-4S domain
132	274	InterPro	IPR006067	Nitrite/sulphite reductase 4Fe-4S domain
133	287	SUPERFAMILY	SSF56014	Nitrite and sulphite reductase 4Fe-4S domain-like
133	287	InterPro	IPR045854	Nitrite and sulphite reductase 4Fe-4S domain-like superfamily
58	434	PANTHER	PTHR32439	FERREDOXIN--NITRITE REDUCTASE, CHLOROPLASTIC
131	291	Gene3D	G3DSA:3.30.413.10	Sulfite Reductase Hemoprotein, domain 1
131	291	InterPro	IPR045854	Nitrite and sulphite reductase 4Fe-4S domain-like superfamily
38	123	SUPERFAMILY	SSF55124	Nitrite/Sulfite reductase N-terminal domain-like
38	123	InterPro	IPR036136	Nitrite/Sulfite reductase ferredoxin-like domain superfamily
45	442	NCBIfam	TIGR02435	precorrin-3B synthase
45	442	InterPro	IPR012798	Cobalamin (vitamin B12) biosynthesis CobG-like
302	360	Pfam	PF03460	Nitrite/Sulfite reductase ferredoxin-like half domain
302	360	InterPro	IPR005117	Nitrite/Sulfite reductase ferredoxin-like domain
62	118	Pfam	PF03460	Nitrite/Sulfite reductase ferredoxin-like half domain
62	118	InterPro	IPR005117	Nitrite/Sulfite reductase ferredoxin-like domain
378	479	Gene3D	G3DSA:3.30.413.10	Sulfite Reductase Hemoprotein, domain 1
378	479	InterPro	IPR045854	Nitrite and sulphite reductase 4Fe-4S domain-like superfamily
381	476	SUPERFAMILY	SSF56014	Nitrite and sulphite reductase 4Fe-4S domain-like
381	476	InterPro	IPR045854	Nitrite and sulphite reductase 4Fe-4S domain-like superfamily

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 PA2906	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				0.583

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

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 2 via homologs

Structural ligands 2 0 loaded crystals

Bioactive compounds 0 0 ZINC candidates

Drug-like & clean 2 0 PAINS alerts

Best available ligand signal

HOA PDB via homolog 33.0 Da · LogP -0.67 · TPSA 46.2

HOA PDB via homolog NO2 PDB via homolog

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
HOA	3VKT	Q76KB0	33.0 Da LogP -0.67 TPSA 46.2	✓ Ro5	✓ Clean	`NO`
NO2	3VKP	Q76KB0	46.0 Da LogP 0.25 TPSA 52.5	✓ Ro5	✓ Clean	`N(=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.

PA2906