Protein profile

PA2688

ferric enterobactin receptor

Genome: NC_002516.2

Gene: PA2688 pfeA Structure source: Experimental + AlphaFold UniProt Q05098
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Amino acids 746
Annotations 11
Features 26
PDB binders 13
Druggability 0.607

Overview

Basic information about this protein and its source genome.

Accession
PA2688
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2688 pfeA
Status
annotated
Amino acids
746
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:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites. GO:0042912 Enables the transfer of a colicin from one side of a membrane to the other. Colicins are a group of antibiotics produced by E. coli and related species that are encoded by a group of naturally occurring plasmids, e.g. Col E1. GO:1903981 Binding to enterobactin. 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: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).

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 0.607
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:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.
  • GO:0042912 Enables the transfer of a colicin from one side of a membrane to the other. Colicins are a group of antibiotics produced by E. coli and related species that are encoded by a group of naturally occurring plasmids, e.g. Col E1.
  • GO:1903981 Binding to enterobactin.
  • 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: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: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.

26 records
Show feature table
Start End DB Term Name
39 746 SUPERFAMILY SSF56935 Porins
394 420 MobiDBLite mobidb-lite consensus disorder prediction
179 746 FunFam G3DSA:2.40.170.20:FF:000002 Colicin I TonB-dependent receptor
1 25 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
179 746 Gene3D G3DSA:2.40.170.20 -
179 746 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
282 744 Pfam PF00593 TonB dependent receptor
282 744 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
729 746 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
729 746 InterPro IPR010917 TonB-dependent receptor, conserved site
5 20 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
21 25 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
12 746 PANTHER PTHR30069 TONB-DEPENDENT OUTER MEMBRANE RECEPTOR
12 746 InterPro IPR039426 TonB-dependent receptor-like
1 25 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
54 746 CDD cd01347 ligand_gated_channel
1 4 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
35 173 Gene3D G3DSA:2.170.130.10 -
35 173 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
26 746 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 17 ProSiteProfiles PS51257 Prokaryotic membrane lipoprotein lipid attachment site profile.
1 25 Phobius SIGNAL_PEPTIDE Signal peptide region
54 168 Pfam PF07715 TonB-dependent Receptor Plug Domain
54 168 InterPro IPR012910 TonB-dependent receptor, plug domain
55 746 NCBIfam TIGR01783 TonB-dependent siderophore receptor
55 746 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

14 + 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 5M9B
X-ray 2.12 Å A
96.6% 26-746
PDBe RCSB PDBj File
Viewing
PDB 5NC3
X-ray 2.57 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 5MZS
X-ray 2.67 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 6Q5E
X-ray 2.70 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 5NR2
X-ray 2.78 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 5NC4
X-ray 2.80 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 5OUT
X-ray 2.90 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 6I2J
X-ray 2.96 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 6Y47
X-ray 3.04 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 6R1F
X-ray 3.11 Å A
96.6% 26-746
PDBe RCSB PDBj File
Loaded
PDB 7OBW
X-ray 2.66 Å AAA
96.6% 26-746
PDBe RCSB PDBj File
Metadata only
PDB 6Z33
X-ray 2.71 Å AAA
96.6% 26-746
PDBe RCSB PDBj File
Metadata only
PDB 6YY5
X-ray 2.72 Å AAA
96.6% 26-746
PDBe RCSB PDBj File
Metadata only
PDB 6Z2N
X-ray 3.03 Å AAA
96.6% 26-746
PDBe RCSB PDBj File
Metadata only
AlphaFold PA2688
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
11 0.607
23 0.521
18 0.443
5 0.25

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 15.32 0.751
2 15.17 0.747
3 9.83 0.528
4 8.34 0.445
5 7.75 0.41

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

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.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
8SW
5NC3 2.57 Å Open crystal
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 2.80 Å Open crystal
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 2.78 Å Open crystal
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…
EB4
6I2J 2.96 Å Open crystal
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…
LP5
6Q5E 2.70 Å Open crystal
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@…
OWT
6Y47 3.04 Å Open crystal
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.