Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA4646
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: upp PA4646
Status: annotated
Amino acids: 212
Structure source: AlphaFold

EC

2.4.2.9

GO

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0005525 Binding to GTP, guanosine triphosphate. GO:0000287 Binding to a magnesium (Mg) ion. GO:0004845 Catalysis of the reaction: diphosphate + UMP = 5-phospho-alpha-D-ribose 1-diphosphate + uracil. GO:0044206 Any process which produces UMP, uridine monophosphate, from derivatives of it (e.g. cytidine, uridine, cytosine) without de novo synthesis.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 27.228
Human E-value: 1.87e-15
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 0.376

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Enzyme Commission (EC)

1

2.4.2.9

Gene Ontology (GO)

7

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0005525 Binding to GTP, guanosine triphosphate.
GO:0000287 Binding to a magnesium (Mg) ion.
GO:0004845 Catalysis of the reaction: diphosphate + UMP = 5-phospho-alpha-D-ribose 1-diphosphate + uracil.
GO:0044206 Any process which produces UMP, uridine monophosphate, from derivatives of it (e.g. cytidine, uridine, cytosine) without de novo synthesis.
GO:0006223 Any process that generates uracil, 2,4-dioxopyrimidine, from derivatives of it without de novo synthesis.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
3	208	NCBIfam	TIGR01091	uracil phosphoribosyltransferase
3	208	InterPro	IPR005765	Uracil phosphoribosyl transferase
7	207	Pfam	PF14681	Uracil phosphoribosyltransferase
4	181	PANTHER	PTHR32315	ADENINE PHOSPHORIBOSYLTRANSFERASE
1	208	Gene3D	G3DSA:3.40.50.2020	-
1	208	InterPro	IPR029057	Phosphoribosyltransferase-like
68	182	CDD	cd06223	PRTases_typeI
68	182	InterPro	IPR000836	Phosphoribosyltransferase domain
2	208	Hamap	MF_01218_B	Uracil phosphoribosyltransferase [upp].
2	208	InterPro	IPR034332	Uracil phosphoribosyltransferase, bacterial-type
1	208	FunFam	G3DSA:3.40.50.2020:FF:000003	Uracil phosphoribosyltransferase
3	206	SUPERFAMILY	SSF53271	PRTase-like
3	206	InterPro	IPR029057	Phosphoribosyltransferase-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 PA4646	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				0.376

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
URA	1BD4	Q26998	112.1 Da LogP -0.94 TPSA 65.7	✓ Ro5	✓ Clean	`C1=CNC(=O)NC1=O`
URF	1UPF	Q26998	130.1 Da LogP -0.80 TPSA 65.7	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1)F`

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
ZINC1092752	0.520	238.0 Da LogP -0.33 TPSA 65.7	✓ Ro5	✓ Clean	`O=c1[nH]cc(I)c(=O)[nH]1`
ZINC19857527	0.500	277.1 Da LogP 0.34 TPSA 91.7	✓ Ro5	✓ Clean	`NC(c1c[nH]c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F`

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.

PA4646