Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1940
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1940
Status: annotated
Amino acids: 379
Structure source: AlphaFold

EC

1.11.1.6

GO

GO:0004096 Catalysis of the reaction: 2 H2O2 = O2 + 2 H2O. GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0006979 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 24.0
Human E-value: 1.39e-06
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 0.736

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MRAPLTHAWLFLGKWLGRLLLLLLAVGLGGWAIGSLYYAWKFSGPVSAEEQIAPDEARITQAIIQDAIRVVEQHRDNTRVLRDAHAKAHGCVKAEFKVRADLDPTLRRGVFAEPGKSWNAWVRFSNGNAYPQFDSKNDARGMAIKLLDVPGEKLLPGRGHDGEQDFVMFNQPVFFIRDIAEYRQNFAAQADGKKALAFFPNWNPASWELRHLLIALRTLAPAPDSPLHAGYNGISPYKLGEHNIKFRVVPAPEKCPAYQLPKQNQDLPNFLRAALYQQLSIDRTPACYAFQVQRQDPAKYMPIEDTSVEWKESDAPFATIADIIVPAQDFDSREQNLFCDNLSFNPWHALPEHRPIGGINRLRKAVYEAVSGYRLGRNG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

1

1.11.1.6

Gene Ontology (GO)

3

GO:0004096 Catalysis of the reaction: 2 H2O2 = O2 + 2 H2O.
GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
GO:0006979 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
44	379	Gene3D	G3DSA:2.40.180.10	Catalase core domain
35	379	ProSiteProfiles	PS51402	catalase family profile.
35	379	InterPro	IPR018028	Catalase, mono-functional, haem-containing
41	379	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
15	37	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
73	323	Pfam	PF00199	Catalase
73	323	InterPro	IPR011614	Catalase core domain
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
73	325	PANTHER	PTHR11465	CATALASE
73	325	InterPro	IPR018028	Catalase, mono-functional, haem-containing
20	40	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
25	378	SUPERFAMILY	SSF56634	Heme-dependent catalase-like
25	378	InterPro	IPR020835	Catalase superfamily
79	376	CDD	cd08152	y4iL_like

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 PA1940	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				0.736
6				0.353

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
3TR	1TH4	P00432	84.1 Da LogP -0.61 TPSA 67.6	✓ Ro5	✓ Clean	`c1[nH]nc(n1)N`
AZI	1TH2	P00432	42.0 Da LogP 0.87 TPSA 58.7	✓ Ro5	Alert	`[N-]=[N+]=[N-]`
NH3	3RGS	P00432	17.0 Da LogP 0.16 TPSA 35.0	✓ Ro5	✓ Clean	`N`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL89295	P00432	—	65.0 Da LogP -2.13 TPSA 58.7	✓ Ro5	Alert	`[N-]=[N+]=[N-].[Na+]`

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.

PA1940