Protein profile

PA3901

Fe(III) dicitrate transporter FecA

Genome: NC_002516.2

Gene: fecA PA3901 Structure source: AlphaFold UniProt Q9HXB2
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Amino acids 784
Annotations 8
Features 31
PDB binders 8
Druggability 0.672

Overview

Basic information about this protein and its source genome.

Accession
PA3901
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
fecA PA3901
Status
annotated
Amino acids
784
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: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). 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:0007166 The series of molecular signals initiated by an extracellular ligand binding to a receptor located on the cell surface. The pathway ends with regulation of a downstream cellular process, e.g. transcription. GO:0015746 The directed movement of citrate, 2-hydroxy-1,2,3-propanetricarboxylate, into, out of or within a cell, or between cells, 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.

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 0.672
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MSPSRALSPLSRALLLACLGGPVLVSAGSACAAEIRTDARQYYRLPAEPLEQALNHLGRQAGVLIAFSPEQTAARRSQALDGEYTLEEALAALLVGSGLEARARGDGAYTLEALPVEDPANLQALTVVGDWLADASAADVFEHPGARDVVRREQFQAQGAASTREVLERIPGVSAPLNNGTGSHDLALNFGIRGLNPRLASRSTVLMDGIPVPFAPYGQPQLSLAPVSIGNMDAVDVVRGGGAVRYGPQNVGGIVNFVTRAIPEDFATKLDVHSELSPSSSQDGLKTTHNVLIGGTGANGLGGALLYSGTRGGDWREHSDTRIDDLILKGRFQPSDEHTFSAMTQYYDGEADMPGGLGTAAYHDDPYQSTRPYDKFWGRRTLASASYEYTPNASQKLNVTGFFTKTLRSGYLDQGRNLTLSPREYWVRGLETRFSQGFELGESRHEVGIGHRYVNEASHELRYWTRADSGQLPSTGSRNDRDTRGSTEANAFYIDDRIDIGNWTITPGIRYEKIDSEQKNLLKNSKDSGRYNASLPALNVIYHLTPSWNLYANTEGSFGTVQYSQMGKAVRSGDIEPEKARTWELGSRYDDGILRAELGAFLINFDNQYESNQQTDSVTARGKTRHKGIEAAIAYDLADLDPLLSGFDVYASYAYVDASIREDGPNKGNQVPFSSKHKGTLGANYRTGAWSYNLDGSFQTSQYADNANTESESADGSTGRIAGWMVWSARGTYDFGPQLNDLKLGLGVKNLFDRRYYTRSFDDNNKGLYVGQPRTLYVQASVGF

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • 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: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).
  • 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:0007166 The series of molecular signals initiated by an extracellular ligand binding to a receptor located on the cell surface. The pathway ends with regulation of a downstream cellular process, e.g. transcription.
  • GO:0015746 The directed movement of citrate, 2-hydroxy-1,2,3-propanetricarboxylate, into, out of or within a cell, or between cells, 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:0033214 A process in which iron (Fe3+) is solubilized by ferric iron-specific chelators, known as siderophores is imported into the cell by transmembrane transport or endocytosis.
  • GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.

Sequence Features

Domain/signature hits from InterPro and related databases.

31 records
Show feature table
Start End DB Term Name
1 12 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 32 Phobius SIGNAL_PEPTIDE Signal peptide region
138 264 Gene3D G3DSA:2.170.130.10 -
138 264 InterPro IPR037066 TonB-dependent receptor, plug domain superfamily
25 32 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
34 134 FunFam G3DSA:3.55.50.30:FF:000002 Probable TonB-dependent receptor
13 24 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
267 784 Gene3D G3DSA:2.40.170.20 -
267 784 InterPro IPR036942 TonB-dependent receptor-like, beta-barrel domain superfamily
126 784 SUPERFAMILY SSF56935 Porins
1 31 ProSiteProfiles PS51257 Prokaryotic membrane lipoprotein lipid attachment site profile.
148 784 CDD cd01347 ligand_gated_channel
35 131 Gene3D G3DSA:3.55.50.30 -
1 32 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
63 114 SMART SM00965 STN_2
63 114 InterPro IPR011662 Secretin/TonB, short N-terminal domain
142 784 NCBIfam TIGR01783 TonB-dependent siderophore receptor
142 784 InterPro IPR010105 TonB-dependent siderophore receptor
344 781 Pfam PF00593 TonB dependent receptor
344 781 InterPro IPR000531 TonB-dependent receptor-like, beta-barrel
54 784 PANTHER PTHR30442 IRON III DICITRATE TRANSPORT PROTEIN FECA
54 784 InterPro IPR039426 TonB-dependent receptor-like
141 254 Pfam PF07715 TonB-dependent Receptor Plug Domain
141 254 InterPro IPR012910 TonB-dependent receptor, plug domain
33 784 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
64 113 Pfam PF07660 Secretin and TonB N terminus short domain
64 113 InterPro IPR011662 Secretin/TonB, short N-terminal domain
1 32 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
767 784 ProSitePatterns PS01156 TonB-dependent receptor proteins signature 2.
767 784 InterPro IPR010917 TonB-dependent receptor, conserved site
1 27 SignalP_EUK SignalP-noTM SignalP-noTM

3D Structure

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

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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 PA3901
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
2 0.581
29 0.278
28 0.212

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.

58 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
6L0
6Z8A
Q9I116 598.7 Da LogP 0.63 TPSA 208.9 2 viol. ✓ Clean C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CC…
BOG
6BPO
P75780 292.4 Da LogP 0.16 TPSA 99.4 ✓ Ro5 ✓ Clean CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)…
C8E
5FP1
D0CAH3 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
FLC
1PO0
P13036 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
FTT
6I98
Q9I116 244.4 Da LogP 3.74 TPSA 57.5 ✓ Ro5 ✓ Clean CCCCCCCCCCC[C@H](CC(=O)O)O
HTO
1KMO
P13036 148.2 Da LogP -0.11 TPSA 60.7 ✓ Ro5 ✓ Clean CCCC[C@H]([C@@H](CO)O)O
LDA
1KMO
P13036 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]
N8E
2W16
P48632 350.5 Da LogP 2.42 TPSA 66.4 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCOCCO

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.