Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA3846
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3846
Status: annotated
Amino acids: 180
Structure source: AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 42.208
Human E-value: 3.08e-26
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records

Show feature table

Start	End	DB	Term	Name
9	164	CDD	cd01012	YcaC_related
2	180	Gene3D	G3DSA:3.40.50.850	-
2	180	InterPro	IPR036380	Isochorismatase-like superfamily
8	156	Pfam	PF00857	Isochorismatase family
8	156	InterPro	IPR000868	Isochorismatase-like
2	178	SUPERFAMILY	SSF52499	Isochorismatase-like hydrolases
2	178	InterPro	IPR036380	Isochorismatase-like superfamily
6	176	PANTHER	PTHR14119	HYDROLASE

3D Structure

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

No pockets are loaded yet for the displayed AlphaFold model PA3846 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.

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 PA3846	AlphaFold	—	—	full sequence	—	Viewing

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.

6 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
HX2	4WGF	Q9I4D6	118.2 Da LogP 0.53 TPSA 40.5	✓ Ro5	✓ Clean	`C[C@H](CC[C@@H](C)O)O`
ROP	4WGF	Q9I4D6	73.1 Da LogP -0.12 TPSA 43.1	✓ Ro5	✓ Clean	`CCC(=O)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).

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
ZINC1562177	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@@H](C)O`
ZINC1700021	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@@H](C)O`
ZINC2037649	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@H](C)O`
ZINC2039357	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](C)O`

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.