Amino acids
802
Annotations
7
Features
25
PDB binders
8
Druggability
0.751
Overview
Basic information about this protein and its source genome.
- Accession
- PA4168
- Gene
- fpvB PA4168
- Status
- annotated
- Amino acids
- 802
- 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: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: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.
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
0.751
Sequence
Primary amino-acid sequence viewer.
MKHVVSSALLLGLSSLSLAAQAAPIALDLPAQPLAASLEQLQGASGLRIRFDRAAVADRRAPALRGTLEPSEALQRLLAGSGLSGEVRGGDAWVEAAATGAGIAPGDSVDLGALSVVATQDPATAAITEDSGSYTTRAMRTSTKLAMSIRETPQSVSVVTRQRMDDQGMRDLNDAVKGVTGLTVQQYGPARVKYAARGFDVDNIMYDGLPTSISTYTQDVISAADLAMFDRVEVVRGATGLMQGAGNPAAAINMVRKRPTQEFRASLQGSVGTWDRYRSEADVSGPLNSEGTLRGRAVVAYQKGNSFQDHVSSERGVFYGIAEADLSPDTTFAIGASNQNDNRNDNWVGLPSPLGGRHLDLKRSSYYGADWSYWDTDTTHLFSDLTHRFANGWQMKLAADKLWARINMLGLYNDCYYSTTGCASMTQNPGDYSYTDDHDSYDAYANGPFQLLGREHELVVGASYRQERFDGHGGWGSLFNKDGTPTGPMDPTQWDPSSTLKPRLNTSLWGMKLDQEQKGAYLTTRLNLADPLKVILGGRLDWYKADADTDSYKVTRNVTRYAGVIYDLNQTYSVYASYTDIFKPQSNFDAGGGLLDPITGKNYEIGLKGEHFGGALNSQIALFQIDQENRATEDVGGPSPCPFSPTSRYCSRASGKVRSQGVDLELSGALSDDWQMMAGYTYVDAKYKHDSNKANEGKPFDAAKPRHLFKLATSYTLPGELHKWRVGGDLATQSKTEDSSTGFQQGGYTVVNAMLGYKVNERIDTRLNFNNLFDKYYYSGIDFGNLNYGEPRNLMFTVKYSL
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
7 GO
Gene Ontology (GO)
7- 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: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: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.
- 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 |
|---|---|---|---|---|
| 1 | 22 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 23 | 802 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 47 | 97 | SMART | SM00965 | STN_2 |
| 47 | 97 | InterPro | IPR011662 | Secretin/TonB, short N-terminal domain |
| 4 | 14 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 22 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 110 | 801 | PANTHER | PTHR32552 | FERRICHROME IRON RECEPTOR-RELATED |
| 110 | 801 | InterPro | IPR039426 | TonB-dependent receptor-like |
| 151 | 800 | NCBIfam | TIGR01783 | TonB-dependent siderophore receptor |
| 151 | 800 | InterPro | IPR010105 | TonB-dependent siderophore receptor |
| 17 | 123 | Gene3D | G3DSA:3.55.50.30 | - |
| 141 | 801 | SUPERFAMILY | SSF56935 | Porins |
| 259 | 801 | Gene3D | G3DSA:2.40.170.20 | - |
| 259 | 801 | InterPro | IPR036942 | TonB-dependent receptor-like, beta-barrel domain superfamily |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 126 | 258 | Gene3D | G3DSA:2.170.130.10 | - |
| 126 | 258 | InterPro | IPR037066 | TonB-dependent receptor, plug domain superfamily |
| 1 | 22 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 341 | 801 | Pfam | PF00593 | TonB dependent receptor |
| 341 | 801 | InterPro | IPR000531 | TonB-dependent receptor-like, beta-barrel |
| 155 | 801 | CDD | cd01347 | ligand_gated_channel |
| 15 | 22 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 149 | 250 | Pfam | PF07715 | TonB-dependent Receptor Plug Domain |
| 149 | 250 | InterPro | IPR012910 | TonB-dependent receptor, plug domain |
| 127 | 258 | FunFam | G3DSA:2.170.130.10:FF:000010 | Ferripyoverdine receptor |
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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High
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Low
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA4168
|
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 | 0.518 |
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
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 |
|---|---|---|---|---|---|---|
| 6L0 | 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…
|
|
| C8E | Q9I116 | 306.4 Da LogP 2.41 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCO
|
|
| DPO | P06971 | 173.9 Da LogP -3.34 TPSA 135.6 | ✓ Ro5 | ✓ Clean |
[O-]P(=O)([O-])OP(=O)([O-])[O-]
|
|
| EFE | C5I2D9 | 378.3 Da LogP 1.23 TPSA 38.5 | ✓ Ro5 | ✓ Clean |
C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(…
|
|
| FTT | P06971 | 244.4 Da LogP 3.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@H](CC(=O)O)O
|
|
| LDA | P42512 | 229.4 Da LogP 4.48 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)[O-]
|
|
| N8E | P48632 | 350.5 Da LogP 2.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCOCCO
|
|
| OES | P06971 | 206.4 Da LogP 2.09 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCC[S@@](=O)CCO
|
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 |
|---|---|---|---|---|---|
| ZINC100014200 | 1.000 | 494.7 Da LogP 4.02 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC100070166 | 1.000 | 290.4 Da LogP 3.17 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCO
|
| ZINC100305273 | 1.000 | 286.5 Da LogP 4.91 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC100305277 | 1.000 | 286.5 Da LogP 4.91 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC100310628 | 1.000 | 478.7 Da LogP 4.78 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC100365196 | 1.000 | 302.5 Da LogP 4.71 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCO
|
| ZINC100500540 | 1.000 | 230.3 Da LogP 3.35 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC100500548 | 1.000 | 258.4 Da LogP 4.13 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC100500553 | 1.000 | 258.4 Da LogP 4.13 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC101772322 | 1.000 | 434.7 Da LogP 4.76 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC103600921 | 1.000 | 466.7 Da LogP 3.24 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC14880431 | 1.000 | 378.6 Da LogP 3.20 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC14881140 | 1.000 | 306.4 Da LogP 2.41 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCO
|
| ZINC16051619 | 1.000 | 350.5 Da LogP 2.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC16051927 | 1.000 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC1849937 | 1.000 | 201.4 Da LogP 3.70 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2008702 | 1.000 | 243.4 Da LogP 4.87 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2039068 | 1.000 | 244.4 Da LogP 3.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC2039069 | 1.000 | 244.4 Da LogP 3.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC2039372 | 1.000 | 229.4 Da LogP 4.48 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2504625 | 1.000 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC2516963 | 1.000 | 215.4 Da LogP 4.09 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2558055 | 1.000 | 202.3 Da LogP 2.57 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCC[C@H](O)CC(=O)O
|
| ZINC2558056 | 1.000 | 230.3 Da LogP 3.35 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC2584424 | 1.000 | 218.3 Da LogP 2.37 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCO
|
| ZINC32838984 | 1.000 | 272.4 Da LogP 4.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC32838986 | 1.000 | 272.4 Da LogP 4.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC[C@H](O)CC(=O)O
|
| ZINC4521877 | 1.000 | 234.3 Da LogP 1.61 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCOCCOCCOCCO
|
| ZINC5273610 | 1.000 | 322.4 Da LogP 1.64 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCOCCOCCOCCOCCOCCO
|
| ZINC58538366 | 1.000 | 392.6 Da LogP 3.59 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC58631420 | 1.000 | 422.6 Da LogP 3.22 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC59441819 | 1.000 | 318.5 Da LogP 3.95 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCO
|
| ZINC59622400 | 1.000 | 274.4 Da LogP 3.93 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCO
|
| ZINC71788551 | 1.000 | 334.5 Da LogP 3.19 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC71788564 | 1.000 | 262.4 Da LogP 2.39 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCO
|
| ZINC71788567 | 1.000 | 406.6 Da LogP 3.98 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC8214594 | 1.000 | 362.6 Da LogP 3.97 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC85915165 | 1.000 | 202.3 Da LogP 2.57 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCC[C@@H](O)CC(=O)O
|
| ZINC88260008 | 1.000 | 390.6 Da LogP 4.75 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC95784968 | 1.000 | 450.7 Da LogP 4.00 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC95863931 | 1.000 | 464.7 Da LogP 4.39 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1849711 | 0.950 | 202.3 Da LogP 3.14 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCO
|
| ZINC1850542 | 0.950 | 216.4 Da LogP 3.53 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCOCCO
|
| ZINC2555269 | 0.950 | 220.3 Da LogP 1.22 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCOCCOCCOCCO
|
| ZINC59660505 | 0.950 | 244.4 Da LogP 4.31 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCOCCO
|
| ZINC8437287 | 0.950 | 230.4 Da LogP 3.92 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCO
|
| ZINC85733754 | 0.950 | 258.4 Da LogP 4.70 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCO
|
| ZINC1644613 | 0.810 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC31159540 | 0.778 | 204.3 Da LogP 1.15 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@@H](O)C[C@@H](O)CC(=O)O
|
| ZINC31159544 | 0.778 | 204.3 Da LogP 1.15 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)C[C@@H](O)CC(=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.