Protein profile

PA0781

hypothetical protein

Genome: NC_002516.2

Gene: PA0781 Structure source: AlphaFold UniProt Q9I5F7
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Amino acids 687
Annotations 3
Features 20
PDB binders 9
Druggability 0.613

Overview

Basic information about this protein and its source genome.

Accession
PA0781
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0781
Status
annotated
Amino acids
687
Structure source
AlphaFold
GO
GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures. GO:0015344 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(ferrioxamine)(out) + H+(out) = siderophore-iron(ferrioxamine)(in) + H+(in). GO:0044718 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, from one side of a membrane to the other, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
OuterMembrane

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 0.613
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.
  • GO:0015344 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(ferrioxamine)(out) + H+(out) = siderophore-iron(ferrioxamine)(in) + H+(in).
  • GO:0044718 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, from one side of a membrane to the other, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
168 687 Gene3D G3DSA:2.40.170.20 -
168 687 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
208 685 Pfam PF00593 TonB dependent receptor
208 685 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
53 156 Pfam PF07715 TonB-dependent Receptor Plug Domain
53 156 InterPro IPR012910 TonB-dependent receptor, plug domain
3 687 PANTHER PTHR30069 TONB-DEPENDENT OUTER MEMBRANE RECEPTOR
3 687 InterPro IPR039426 TonB-dependent receptor-like
1 31 Phobius SIGNAL_PEPTIDE Signal peptide region
51 166 Gene3D G3DSA:2.170.130.10 -
51 166 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
218 249 MobiDBLite mobidb-lite consensus disorder prediction
32 687 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
227 241 MobiDBLite mobidb-lite consensus disorder prediction
55 687 SUPERFAMILY SSF56935 Porins
1 11 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
24 31 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
12 23 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 31 SignalP_EUK SignalP-noTM SignalP-noTM
57 687 CDD cd01347 ligand_gated_channel

3D Structure

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

3D visualization script Full viewer

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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 PA0781
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 0.613

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.

59 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
C8E
5FR8
D0C8V9 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
DPO
1QJQ
P06971 173.9 Da LogP -3.34 TPSA 135.6 ✓ Ro5 ✓ Clean [O-]P(=O)([O-])OP(=O)([O-])[O-]
FTT
1QJQ
P06971 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)O
HEX
2GSK
P06129 86.2 Da LogP 2.59 TPSA 0.0 ✓ Ro5 ✓ Clean CCCCCC
LDA
2GSK
P06129 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]
MPG
2GUF
P06129 356.5 Da LogP 4.92 TPSA 66.8 ✓ Ro5 ✓ Clean CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
MTN
3RGM
P06129 264.4 Da LogP 1.82 TPSA 57.3 ✓ Ro5 ✓ Clean CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
OCT
2GSK
P06129 114.2 Da LogP 3.37 TPSA 0.0 ✓ Ro5 ✓ Clean CCCCCCCC
OES
1BY3
P06971 206.4 Da LogP 2.09 TPSA 37.3 ✓ Ro5 ✓ Clean CCCCCCCC[S@@](=O)CCO

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.