Protein profile

PA3332

hypothetical protein

Genome: NC_002516.2

Gene: PA3332 Structure source: Experimental + AlphaFold UniProt Q9HYR3

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Amino acids 141

Annotations 0

Features 5

PDB binders 1

Druggability 0.961

Overview

Basic information about this protein and its source genome.

Accession: PA3332
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3332
Status: annotated
Amino acids: 141
Structure source: Experimental + AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.961

Structure –

Pocket –

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.

5 records

Show feature table

Start	End	DB	Term	Name
11	113	Pfam	PF12680	SnoaL-like domain
11	113	InterPro	IPR037401	SnoaL-like domain
1	132	Gene3D	G3DSA:3.10.450.50	-
1	129	SUPERFAMILY	SSF54427	NTF2-like
1	129	InterPro	IPR032710	NTF2-like domain superfamily

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

3 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 1Z1S	X-ray	1.49 Å	A	100.0% 1-141	PDBe RCSB PDBj File	Viewing
PDB 4J8T	X-ray	2.05 Å	A,B,C,D	93.6% 1-132	PDBe RCSB PDBj File	Loaded
PDB 4J9A	X-ray	3.20 Å	A,B,C,D,E,F,G,H,I	93.6% 1-132	PDBe RCSB PDBj File	Loaded
AlphaFold PA3332	AlphaFold	—	—	full sequence	—	Loaded

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				0.961

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				42.58	0.968

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				0.945

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.

51 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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
DOG	4J8T 2.05 Å Open crystal	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([…`

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.

No PDB ligands found through similar proteins.

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
ZINC1848675484	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H…`
ZINC252427035	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C[C@@H](…`
ZINC252427036	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C[C@H](O…`
ZINC253498272	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C[C@@H](…`
ZINC253498273	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C[C@H](O…`
ZINC3982470	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H…`
ZINC3982471	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H]…`
ZINC3982472	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2C[C@@H]…`
ZINC3982473	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2C[C@@H](…`
ZINC4023918	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@H](…`
ZINC53684044	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H…`
ZINC5881466	1.000	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H…`
ZINC118915276	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@…`
ZINC118915277	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC13361560	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@…`
ZINC16951813	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC253505596	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2…`
ZINC253505600	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2…`
ZINC255282708	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2…`
ZINC34173147	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC3875959	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2…`
ZINC4073972	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC4073973	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2…`
ZINC5535080	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC5696852	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@…`
ZINC78213314	0.737	374.5 Da LogP 3.60 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2…`
ZINC118918012	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@@H]1CC[C@@H]1…`
ZINC118918013	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](OC(=O)CCC(=O)O)C[C@@H]1CC[C@@H]…`
ZINC118918014	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@H]1CC[C@@H]1[…`
ZINC118918015	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](OC(=O)CCC(=O)O)C[C@H]1CC[C@@H]1…`
ZINC36367398	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@H]1CC[C@@H]1[…`
ZINC96113538	0.697	490.6 Da LogP 2.99 TPSA 130.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@H]1CC[C@@H]1[…`
ZINC4104886	0.695	389.5 Da LogP 2.15 TPSA 89.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H]…`
ZINC169596500	0.656	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H]…`
ZINC254487957	0.656	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@H](O)…`
ZINC254487958	0.656	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@H](O)…`
ZINC254487960	0.656	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O…`
ZINC254487962	0.656	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2[C@@H](O…`
ZINC123341418	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C…`
ZINC254418784	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[…`
ZINC254418788	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C…`
ZINC254418791	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C…`
ZINC254418794	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[…`
ZINC255199696	0.645	388.5 Da LogP 2.78 TPSA 83.8	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C…`
ZINC118912560	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@…`
ZINC139365304	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]…`
ZINC242620152	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(…`
ZINC3978407	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2…`
ZINC3978409	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(…`
ZINC3978410	0.639	390.5 Da LogP 2.58 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C…`

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.