Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA4366
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4366 sodB
Status: annotated
Amino acids: 193
Structure source: AlphaFold

EC

1.15.1.1

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0004784 Catalysis of the reaction: 2 superoxide + 2 H+ = O2 + H2O2. GO:0046914 Binding to a transition metal ions; a transition metal is an element whose atom has an incomplete d-subshell of extranuclear electrons, or which gives rise to a cation or cations with an incomplete d-subshell. Transition metals often have more than one valency state. Biologically relevant transition metals include vanadium, manganese, iron, copper, cobalt, nickel, molybdenum and silver. GO:0046872 Binding to a metal ion. GO:0006801 The chemical reactions and pathways involving superoxide, the superoxide anion O2- (superoxide free radical), or any compound containing this species.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 61.111
Human E-value: 2.01e-08
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Periplasmic

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 0.646

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MAFELPPLPYEKNALEPHISAETLEYHHDKHHNTYVVNLNNLIPGTEFEGKSLEEIVKSSSGGIFNNAAQVWNHTFYWNCLSPNGGGQPTGALADAINAAFGSFDKFKEEFTKTSVGTFGSGWGWLVKKADGSLALASTIGAGNPLTSGDTPLLTCDVWEHAYYIDYRNLRPKYVEAFWNLVNWDFVAKNFAA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

1

1.15.1.1

Gene Ontology (GO)

5

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0004784 Catalysis of the reaction: 2 superoxide + 2 H+ = O2 + H2O2.
GO:0046914 Binding to a transition metal ions; a transition metal is an element whose atom has an incomplete d-subshell of extranuclear electrons, or which gives rise to a cation or cations with an incomplete d-subshell. Transition metals often have more than one valency state. Biologically relevant transition metals include vanadium, manganese, iron, copper, cobalt, nickel, molybdenum and silver.
GO:0046872 Binding to a metal ion.
GO:0006801 The chemical reactions and pathways involving superoxide, the superoxide anion O2- (superoxide free radical), or any compound containing this species.

Sequence Features

Domain/signature hits from InterPro and related databases.

29 records

Show feature table

Start	End	DB	Term	Name
1	193	PIRSF	PIRSF000349	MnSOD_FeSOD
1	193	InterPro	IPR001189	Manganese/iron superoxide dismutase
1	84	SUPERFAMILY	SSF46609	Fe,Mn superoxide dismutase (SOD), N-terminal domain
1	84	InterPro	IPR036324	Manganese/iron superoxide dismutase, N-terminal domain superfamily
82	193	FunFam	G3DSA:3.55.40.20:FF:000001	Superoxide dismutase
3	82	Pfam	PF00081	Iron/manganese superoxide dismutases, alpha-hairpin domain
3	82	InterPro	IPR019831	Manganese/iron superoxide dismutase, N-terminal
89	189	Pfam	PF02777	Iron/manganese superoxide dismutases, C-terminal domain
89	189	InterPro	IPR019832	Manganese/iron superoxide dismutase, C-terminal
20	80	Gene3D	G3DSA:1.10.287.990	Fe,Mn superoxide dismutase (SOD) domain
20	80	InterPro	IPR036324	Manganese/iron superoxide dismutase, N-terminal domain superfamily
118	126	PRINTS	PR01703	Manganese superoxide dismutase signature
118	126	InterPro	IPR001189	Manganese/iron superoxide dismutase
155	167	PRINTS	PR01703	Manganese superoxide dismutase signature
155	167	InterPro	IPR001189	Manganese/iron superoxide dismutase
27	40	PRINTS	PR01703	Manganese superoxide dismutase signature
27	40	InterPro	IPR001189	Manganese/iron superoxide dismutase
6	17	PRINTS	PR01703	Manganese superoxide dismutase signature
6	17	InterPro	IPR001189	Manganese/iron superoxide dismutase
65	78	PRINTS	PR01703	Manganese superoxide dismutase signature
65	78	InterPro	IPR001189	Manganese/iron superoxide dismutase
81	192	SUPERFAMILY	SSF54719	Fe,Mn superoxide dismutase (SOD), C-terminal domain
81	192	InterPro	IPR036314	Manganese/iron superoxide dismutase, C-terminal domain superfamily
157	164	ProSitePatterns	PS00088	Manganese and iron superoxide dismutases signature.
157	164	InterPro	IPR019833	Manganese/iron superoxide dismutase, binding site
81	193	Gene3D	G3DSA:3.55.40.20	-
81	193	InterPro	IPR036314	Manganese/iron superoxide dismutase, C-terminal domain superfamily
20	81	FunFam	G3DSA:1.10.287.990:FF:000002	Superoxide dismutase
3	192	PANTHER	PTHR42769	SUPEROXIDE DISMUTASE

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 PA4366	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
2				0.646
3				0.246

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.

4 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
AZI	1ZLZ	P00448	42.0 Da LogP 0.87 TPSA 58.7	✓ Ro5	Alert	`[N-]=[N+]=[N-]`
MH2	1IXB	P00448	71.9 Da LogP -0.56 TPSA 20.2	✓ Ro5	✓ Clean	`O[Mn+2]`
O	2NYB	P0AGD3	18.0 Da LogP -0.82 TPSA 31.5	✓ Ro5	✓ Clean	`O`
PEO	3K9S	P00448	34.0 Da LogP 0.02 TPSA 40.5	✓ Ro5	✓ Clean	`OO`

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.

PA4366