Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA3703
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: wspF
Status: annotated
Amino acids: 335
Structure source: ColabFold

GO

GO:0008984 Catalysis of the reaction: protein L-glutamate O(5)-methyl ester + H2O = protein L-glutamate + methanol. GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0000156 Responds to a phosphorelay sensor to initiate a change in cell state or activity. The activity of the response regulator is regulated by transfer of a phosphate from a histidine residue in the sensor, to an aspartate residue in the response regulator. Many but not all response regulators act as transcriptional regulators to elicit a response. GO:0006935 The directed movement of a motile cell or organism, or the directed growth of a cell guided by a specific chemical concentration gradient. Movement may be towards a higher concentration (positive chemotaxis) or towards a lower concentration (negative chemotaxis).

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 0.61

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5

GO:0008984 Catalysis of the reaction: protein L-glutamate O(5)-methyl ester + H2O = protein L-glutamate + methanol.
GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0000156 Responds to a phosphorelay sensor to initiate a change in cell state or activity. The activity of the response regulator is regulated by transfer of a phosphate from a histidine residue in the sensor, to an aspartate residue in the response regulator. Many but not all response regulators act as transcriptional regulators to elicit a response.
GO:0006935 The directed movement of a motile cell or organism, or the directed growth of a cell guided by a specific chemical concentration gradient. Movement may be towards a higher concentration (positive chemotaxis) or towards a lower concentration (negative chemotaxis).

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
1	104	SUPERFAMILY	SSF52172	CheY-like
1	104	InterPro	IPR011006	CheY-like superfamily
4	102	Pfam	PF00072	Response regulator receiver domain
4	102	InterPro	IPR001789	Signal transduction response regulator, receiver domain
2	119	ProSiteProfiles	PS50110	Response regulatory domain profile.
2	119	InterPro	IPR001789	Signal transduction response regulator, receiver domain
154	330	Pfam	PF01339	CheB methylesterase
154	330	InterPro	IPR000673	Signal transduction response regulator, chemotaxis, protein-glutamate methylesterase
146	335	Gene3D	G3DSA:3.40.50.180	-
146	335	InterPro	IPR035909	Methylesterase CheB, C-terminal
144	335	ProSiteProfiles	PS50122	CheB-type methylesterase domain profile.
144	335	InterPro	IPR000673	Signal transduction response regulator, chemotaxis, protein-glutamate methylesterase
1	118	SMART	SM00448	REC_2
1	118	InterPro	IPR001789	Signal transduction response regulator, receiver domain
151	334	SUPERFAMILY	SSF52738	Methylesterase CheB, C-terminal domain
151	334	InterPro	IPR035909	Methylesterase CheB, C-terminal
1	335	PIRSF	PIRSF000876	RR_chemtxs_CheB
1	335	InterPro	IPR008248	Protein-glutamate methylesterase/protein-glutamine glutaminase, CheB type
1	335	Hamap	MF_00099	Protein-glutamate methylesterase/protein-glutamine glutaminase [cheB].
1	129	Gene3D	G3DSA:3.40.50.2300	-
1	334	PANTHER	PTHR42872	PROTEIN-GLUTAMATE METHYLESTERASE/PROTEIN-GLUTAMINE GLUTAMINASE
153	332	CDD	cd16432	CheB_Rec
153	332	InterPro	IPR000673	Signal transduction response regulator, chemotaxis, protein-glutamate methylesterase
1	124	CDD	cd17541	REC_CheB-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
ColabFold PA3703	ColabFold	—	—	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				0.61
2				0.474

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.

3 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
BEF	6EB7	A0A0H2UQ68	66.0 Da LogP 0.88 TPSA 0.0	✓ Ro5	✓ Clean	`[Be-](F)(F)F`
CAC	5ED4	P71814	137.0 Da LogP -0.52 TPSA 40.1	✓ Ro5	✓ Clean	`C[As](=O)(C)[O-]`
PHS	1NXP	A0A0H2UQ68	82.0 Da LogP -0.64 TPSA 57.5	✓ Ro5	✓ Clean	`OP(=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.

PA3703