Protein profile

PA0931

outer membrane receptor FepA

Genome: NC_002516.2

Gene: PA0931 pirA Structure source: Experimental + AlphaFold UniProt Q9I527
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Amino acids 742
Annotations 11
Features 25
PDB binders 13
Druggability 0.313

Overview

Basic information about this protein and its source genome.

Accession
PA0931
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0931 pirA
Status
annotated
Amino acids
742
Structure source
Experimental + 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:0046930 A protein complex providing a discrete opening in a membrane that allows the passage of gases and/or liquids. GO:0042931 Enables the directed movement of the siderochrome enterochelin, a cyclic trimer of 2, 3 dihydroxybenzoylserine from one side of a membrane to the other. GO:0015288 Enables the transfer of substances, sized less than 1000 Da, from one side of a membrane to the other. The transmembrane portions of porins consist exclusively of beta-strands which form a beta-barrel. They are found in the outer membranes of Gram-negative bacteria, mitochondria, plastids and possibly acid-fast Gram-positive bacteria. 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:0038023 Receiving a signal and transmitting it in the cell to initiate a change in cell activity. A signal is a physical entity or change in state that is used to transfer information in order to trigger a response.

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 0.313
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

11 GO

Gene Ontology (GO)

11
  • 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:0046930 A protein complex providing a discrete opening in a membrane that allows the passage of gases and/or liquids.
  • GO:0042931 Enables the directed movement of the siderochrome enterochelin, a cyclic trimer of 2, 3 dihydroxybenzoylserine from one side of a membrane to the other.
  • GO:0015288 Enables the transfer of substances, sized less than 1000 Da, from one side of a membrane to the other. The transmembrane portions of porins consist exclusively of beta-strands which form a beta-barrel. They are found in the outer membranes of Gram-negative bacteria, mitochondria, plastids and possibly acid-fast Gram-positive bacteria.
  • 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:0038023 Receiving a signal and transmitting it in the cell to initiate a change in cell activity. A signal is a physical entity or change in state that is used to transfer information in order to trigger a response.
  • GO:0042930 The directed movement of the siderochrome enterobactin, a cyclic trimer of 2, 3 dihydroxybenzoylserine into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0006826 The directed movement of iron (Fe) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • 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.
  • GO:0015891 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0015343 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: siderophore-iron(out) + H+(out) = siderophore-iron(in) + H+(in).

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
39 183 Gene3D G3DSA:2.170.130.10 -
39 183 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
24 28 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 28 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
41 742 PANTHER PTHR30069 TONB-DEPENDENT OUTER MEMBRANE RECEPTOR
41 742 InterPro IPR039426 TonB-dependent receptor-like
64 742 CDD cd01347 ligand_gated_channel
725 742 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
725 742 InterPro IPR010917 TonB-dependent receptor, conserved site
29 742 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
64 178 Pfam PF07715 TonB-dependent Receptor Plug Domain
64 178 InterPro IPR012910 TonB-dependent receptor, plug domain
189 742 Gene3D G3DSA:2.40.170.20 -
189 742 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
1 28 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
189 742 FunFam G3DSA:2.40.170.20:FF:000002 Colicin I TonB-dependent receptor
273 740 Pfam PF00593 TonB dependent receptor
273 740 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
10 23 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 28 Phobius SIGNAL_PEPTIDE Signal peptide region
1 9 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
50 742 SUPERFAMILY SSF56935 Porins
411 432 MobiDBLite mobidb-lite consensus disorder prediction
65 742 NCBIfam TIGR01783 TonB-dependent siderophore receptor
65 742 InterPro IPR010105 TonB-dependent siderophore receptor

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

1 + 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 5FP2
X-ray 2.97 Å A,B
96.2% 29-742
PDBe RCSB PDBj File
Viewing
AlphaFold PA0931
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
7 0.313
15 0.228

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 16.11 0.77
2 11.81 0.626
3 10.42 0.56
4 9.28 0.498
5 3.37 0.12

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.

63 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
8SW
5NC3
Q05098 692.6 Da LogP -1.77 TPSA 296.0 3 viol. Alert C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(c1O)O…
8T2
5NC4
Q05098 624.6 Da LogP 1.95 TPSA 237.8 2 viol. Alert c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=…
95B
5NR2
Q05098 418.4 Da LogP 1.29 TPSA 176.4 1 viol. Alert c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c…
C8E
5FR8
D0C8V9 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
EB4
6I2J
Q05098 669.6 Da LogP -0.74 TPSA 287.6 3 viol. Alert c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=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-]
LP5
6Q5E
Q05098 711.9 Da LogP 4.91 TPSA 212.3 2 viol. ✓ Clean CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@…
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
2HDF
P17315 206.4 Da LogP 2.09 TPSA 37.3 ✓ Ro5 ✓ Clean CCCCCCCC[S@@](=O)CCO
OWT
6Y47
Q05098 963.0 Da LogP 1.10 TPSA 299.6 3 viol. Alert CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)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.