Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1598
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1598 panB1
Status: annotated
Amino acids: 273
Structure source: AlphaFold

EC

2.1.2.11

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0003864 Catalysis of the reaction: 5,10-methylenetetrahydrofolate + 3-methyl-2-oxobutanoate = tetrahydrofolate + 2-dehydropantoate. GO:0000287 Binding to a magnesium (Mg) ion. GO:0015940 The chemical reactions and pathways resulting in the formation of pantothenate, the anion of pantothenic acid. It is a B complex vitamin that is a constituent of coenzyme A and is distributed ubiquitously in foods. GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Target profile

Computed evidence for target prioritization.

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

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 0.885

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

1

2.1.2.11

Gene Ontology (GO)

5

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0003864 Catalysis of the reaction: 5,10-methylenetetrahydrofolate + 3-methyl-2-oxobutanoate = tetrahydrofolate + 2-dehydropantoate.
GO:0000287 Binding to a magnesium (Mg) ion.
GO:0015940 The chemical reactions and pathways resulting in the formation of pantothenate, the anion of pantothenic acid. It is a B complex vitamin that is a constituent of coenzyme A and is distributed ubiquitously in foods.
GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records

Show feature table

Start	End	DB	Term	Name
72	273	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
10	269	Hamap	MF_00156	3-methyl-2-oxobutanoate hydroxymethyltransferase [panB].
10	269	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
50	71	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
10	269	SUPERFAMILY	SSF51621	Phosphoenolpyruvate/pyruvate domain
10	269	InterPro	IPR015813	Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
1	269	Gene3D	G3DSA:3.20.20.60	-
1	269	InterPro	IPR040442	Pyruvate kinase-like domain superfamily
10	264	Pfam	PF02548	Ketopantoate hydroxymethyltransferase
10	264	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
12	263	CDD	cd06557	KPHMT-like
12	263	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
39	49	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
239	259	Coils	Coil	Coil
1	20	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
5	272	PANTHER	PTHR20881	3-METHYL-2-OXOBUTANOATE HYDROXYMETHYLTRANSFERASE
5	272	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
15	269	NCBIfam	TIGR00222	3-methyl-2-oxobutanoate hydroxymethyltransferase
15	269	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
21	38	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	272	PIRSF	PIRSF000388	PanB
1	272	InterPro	IPR003700	Ketopantoate hydroxymethyltransferase
7	271	FunFam	G3DSA:3.20.20.60:FF:000003	3-methyl-2-oxobutanoate hydroxymethyltransferase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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 PA1598	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				0.885
3				0.503

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
KIV	1O68	Q9JZW6	116.1 Da LogP 0.30 TPSA 54.4	✓ Ro5	✓ Clean	`CC(C)C(=O)C(=O)O`
KPL	1M3U	P31057	146.1 Da LogP -0.34 TPSA 74.6	✓ Ro5	✓ Clean	`CC(C)(CO)C(=O)C(=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.

PA1598