Protein profile

PA0841

hypothetical protein

Genome: NC_002516.2

Gene: PA0841 Structure source: AlphaFold UniProt Q9I599

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Amino acids 319

Annotations 1

Features 9

PDB binders 6

Druggability 0.906

Overview

Basic information about this protein and its source genome.

Accession: PA0841
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0841
Status: annotated
Amino acids: 319
Structure source: AlphaFold

GO:0008289 Binding to a lipid.

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 0.906

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0008289 Binding to a lipid.

Sequence Features

Domain/signature hits from InterPro and related databases.

9 records

Show feature table

Start	End	DB	Term	Name
171	314	Gene3D	G3DSA:3.30.1180.10	-
171	314	InterPro	IPR043168	DegV, C-terminal domain
1	167	Gene3D	G3DSA:3.40.50.10170	-
2	313	Pfam	PF02645	Uncharacterised protein, DegV family COG1307
2	313	InterPro	IPR003797	DegV
3	313	ProSiteProfiles	PS51482	DegV domain profile.
3	313	InterPro	IPR003797	DegV
2	313	PANTHER	PTHR33434	DEGV DOMAIN-CONTAINING PROTEIN DR_1986-RELATED
1	312	SUPERFAMILY	SSF82549	DAK1/DegV-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 PA0841	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				0.906
2				0.29

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.

56 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
BMJ	6ALW	P0A0N2	242.4 Da LogP 5.02 TPSA 37.3	1 viol.	✓ Clean	`CC[C@@H](C)CCCCCCCCCCC(=O)O`
BNV	6ALW	P0A0N2	242.4 Da LogP 5.02 TPSA 37.3	1 viol.	✓ Clean	`CC[C@H](C)CCCCCCCCCCC(=O)O`
D0G	6B9I	X5EH37	270.5 Da LogP 5.80 TPSA 37.3	1 viol.	✓ Clean	`CC[C@H](C)CCCCCCCCCCCCC(=O)O`
MYR	5WOO	P0A0N2	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
OLA	4X9X	Q8NWR0	282.5 Da LogP 6.11 TPSA 37.3	1 viol.	✓ Clean	`CCCCCCCC\C=C/CCCCCCCC(=O)O`
PLM	5UTO	P0A0N2	256.4 Da LogP 5.55 TPSA 37.3	1 viol.	✓ Clean	`CCCCCCCCCCCCCCCC(=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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC33820228	1.000	200.3 Da LogP 3.85 TPSA 37.3	✓ Ro5	✓ Clean	`CC[C@H](C)CCCCCCCC(=O)O`
ZINC64633397	1.000	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCC(=O)O`
ZINC1531062	0.917	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC/C=C/CCCCCCCC(=O)O`
ZINC2504617	0.917	240.4 Da LogP 4.94 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC/C=C/CCCCCCCCC(=O)O`
ZINC32786138	0.917	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCC/C=C/CCCC(=O)O`
ZINC4529321	0.917	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC/C=C\CCCCCCCC(=O)O`
ZINC5260769	0.917	240.4 Da LogP 4.94 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC/C=C\CCCCCCCCC(=O)O`
ZINC31439572	0.778	224.3 Da LogP 4.32 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\CCCC(=O)O`
ZINC198743420	0.750	228.3 Da LogP 2.83 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCC/C=C\CCCCCC(=O)O`
ZINC1529498	0.739	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417	0.739	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1628119	0.739	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC33954988	0.719	296.5 Da LogP 4.86 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@H](O)/C=C/CCCCCCC(=O)O`
ZINC33954989	0.719	296.5 Da LogP 4.86 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@@H](O)/C=C/CCCCCCC(=O)O`
ZINC33820298	0.714	250.4 Da LogP 4.88 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCC/C=C/C/C=C/C/C=C/CCC(=O)O`
ZINC100079757	0.704	253.4 Da LogP 4.73 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCCCC(N)=O`
ZINC100104940	0.704	210.4 Da LogP 4.66 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCC(C)=O`
ZINC104347692	0.704	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C\CC(=O)O`
ZINC1665926	0.704	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C/CC(=O)O`
ZINC85922479	0.704	210.4 Da LogP 4.66 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCC/C=C/CCCCC(C)=O`
ZINC33822120	0.690	250.4 Da LogP 4.88 TPSA 37.3	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O`
ZINC13433851	0.680	200.2 Da LogP 2.05 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CC/C=C/CCCCC(=O)O`
ZINC12496439	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@@H](O)[C@@H](O)CCCCCCCC(=O)O`
ZINC12496441	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)O`
ZINC12496444	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)O`
ZINC12496452	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O`
ZINC12496457	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O`
ZINC12496461	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O`
ZINC12496465	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O`
ZINC13336178	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C/C[C@@H](O)[C@H](O)CCCCCCCC(=O)O`
ZINC2356452777	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@H](O)CC=CCCCCCCCC(=O)O`
ZINC2356452778	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@H](O)CC=CCCCCCCCC(=O)O`
ZINC2356452779	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@@H](O)CC=CCCCCCCCC(=O)O`
ZINC2356452780	0.676	314.5 Da LogP 4.05 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@@H](O)CC=CCCCCCCCC(=O)O`
ZINC14512621	0.667	200.3 Da LogP 2.35 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCC/C=C/CO`
ZINC31159201	0.667	228.3 Da LogP 2.83 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C/C=C\CCCCCCCC(=O)O`
ZINC102184976	0.657	312.4 Da LogP 4.26 TPSA 74.6	✓ Ro5	✓ Clean	`CCCCC[C@H](O)C(=O)C/C=C\CCCCCCCC(=O)O`
ZINC14494508	0.657	296.5 Da LogP 4.86 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\[C@@H](O)CCCCCCC(=O)O`
ZINC14494511	0.657	296.5 Da LogP 4.86 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\[C@H](O)CCCCCCC(=O)O`
ZINC138457918	0.654	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029	0.654	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC14619628	0.654	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC2113934076	0.654	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082	0.654	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083	0.654	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670	0.654	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC5973005	0.654	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182	0.654	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776	0.654	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86039283	0.654	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)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.