Overview
Basic information about this protein and its source genome.
- Accession
- PA4880
- Gene
- PA4880
- Status
- annotated
- Amino acids
- 177
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Cytoplasmic
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
7- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0008199 Binding to a ferric iron ion, Fe(III).
- GO:0004322 Catalysis of the reaction: 4 Fe2+ + 4 H+ + O2 = 4 Fe3+ + 2 H2O.
- GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
- GO:0005506 Binding to an iron (Fe) ion.
- GO:0006879 A homeostatic process involved in the maintenance of a steady state level of iron ions within a cell.
- 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.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 39 | 176 | Pfam | PF00210 | Ferritin-like domain |
| 39 | 176 | InterPro | IPR008331 | Ferritin/DPS protein domain |
| 73 | 93 | PRINTS | PR00601 | Bacterioferritin signature |
| 73 | 93 | InterPro | IPR002024 | Bacterioferritin |
| 32 | 51 | PRINTS | PR00601 | Bacterioferritin signature |
| 32 | 51 | InterPro | IPR002024 | Bacterioferritin |
| 163 | 177 | PRINTS | PR00601 | Bacterioferritin signature |
| 163 | 177 | InterPro | IPR002024 | Bacterioferritin |
| 21 | 177 | Gene3D | G3DSA:1.20.1260.10 | - |
| 21 | 177 | InterPro | IPR012347 | Ferritin-like |
| 74 | 94 | Coils | Coil | Coil |
| 38 | 173 | CDD | cd00657 | Ferritin_like |
| 31 | 175 | SUPERFAMILY | SSF47240 | Ferritin-like |
| 31 | 175 | InterPro | IPR009078 | Ferritin-like superfamily |
| 30 | 177 | ProSiteProfiles | PS50905 | Ferritin-like diiron domain profile. |
| 30 | 177 | InterPro | IPR009040 | Ferritin-like diiron domain |
| 12 | 177 | PIRSF | PIRSF018063 | Ferrtn_UCP018063 |
| 12 | 177 | InterPro | IPR014490 | DNA-binding protein from starved cells-like |
| 25 | 175 | PANTHER | PTHR30295 | BACTERIOFERRITIN |
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...
Structural evidence
3 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
8W1D
|
X-ray | 1.30 Å | A |
|
Viewing | |
|
PDB
8W1E
|
X-ray | 2.90 Å | A,B,C,D,E,F,G,H,I,J,K,L |
|
Loaded | |
|
PDB
8W1F
|
X-ray | 3.00 Å | A,B,C,D,E,F,G,H,I,J,K,L |
|
Loaded | |
|
AlphaFold
PA4880
|
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.572 |
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 | 1.41 | 0.018 |
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 | 0.435 |
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.
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 |
|---|---|---|---|---|---|---|
| 3PY | Q93PP9 | 104.1 Da LogP -1.37 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)C(=O)O)O
|
|
| BTB | P0ABD3 | 209.2 Da LogP -3.01 TPSA 104.4 | ✓ Ro5 | ✓ Clean |
C(CO)N(CCO)C(CO)(CO)CO
|
|
| FEC | Q93PP9 | 708.5 Da LogP 2.75 TPSA 165.1 | 1 viol. | ✓ Clean |
Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O…
|
|
| FES | Q9HY79 | 175.8 Da LogP 1.29 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]S[Fe]1
|
|
| KSY | Q9HY79 | 296.3 Da LogP 2.32 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O
|
|
| KT1 | Q9HY79 | 326.4 Da LogP 2.33 TPSA 87.7 | ✓ Ro5 | ✓ Clean |
COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O
|
|
| KT4 | Q9HY79 | 312.3 Da LogP 2.03 TPSA 98.7 | ✓ Ro5 | ✓ Clean |
c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O
|
|
| KT7 | Q9HY79 | 163.1 Da LogP 0.28 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
c1cc2c(cc1O)C(=O)NC2=O
|
|
| KTG | Q9HY79 | 296.3 Da LogP 2.32 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O
|
|
| KTM | Q9HY79 | 268.3 Da LogP 1.89 TPSA 78.4 | ✓ Ro5 | Alert |
c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O
|
|
| KTV | Q9HY79 | 268.3 Da LogP 1.89 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O
|
|
| MLI | P0ABD3 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
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 |
|---|---|---|---|---|---|
| ZINC1615342 | 1.000 | 209.2 Da LogP -3.01 TPSA 104.4 | ✓ Ro5 | ✓ Clean |
OCCN(CCO)C(CO)(CO)CO
|
| ZINC406661 | 0.615 | 226.0 Da LogP 1.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2cc(Br)ccc21
|
| ZINC136922 | 0.587 | 330.3 Da LogP 2.90 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(Cc1cccc2ccccc12)Nc1cccc2c1C(=O)NC2=O
|
| ZINC1695097 | 0.571 | 215.3 Da LogP 2.71 TPSA 52.5 | ✓ Ro5 | Alert |
Oc1ccccc1CNc1ccccc1O
|
| ZINC56857 | 0.571 | 320.3 Da LogP 0.68 TPSA 109.4 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O
|
| ZINC6702053 | 0.568 | 280.3 Da LogP 1.75 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccccc1)Nc1cccc2c1C(=O)NC2=O
|
| ZINC146805479 | 0.560 | 212.2 Da LogP 2.31 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C1c2ccc(O)cc2-c2cc(O)ccc21
|
| ZINC235319 | 0.560 | 212.2 Da LogP 2.31 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C1c2cc(O)ccc2-c2ccc(O)cc21
|
| ZINC3860201 | 0.560 | 240.2 Da LogP 1.87 TPSA 74.6 | ✓ Ro5 | Alert |
O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21
|
| ZINC5844921 | 0.560 | 240.2 Da LogP 1.87 TPSA 74.6 | ✓ Ro5 | Alert |
O=C1c2ccc(O)cc2C(=O)c2cc(O)ccc21
|
| ZINC118148564 | 0.556 | 273.0 Da LogP 1.17 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2cc(I)ccc21
|
| ZINC3279388 | 0.537 | 204.2 Da LogP 0.53 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1cccc2c1C(=O)NC2=O
|
| ZINC226860030 | 0.528 | 318.3 Da LogP 1.08 TPSA 112.6 | ✓ Ro5 | Alert |
O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc21
|
| ZINC1512745 | 0.523 | 266.3 Da LogP 1.82 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1
|
| ZINC19900891 | 0.523 | 249.3 Da LogP 4.16 TPSA 32.3 | ✓ Ro5 | ✓ Clean |
Oc1cccc(CNc2cccc3ccccc23)c1
|
| ZINC19944707 | 0.523 | 217.2 Da LogP 3.14 TPSA 32.3 | ✓ Ro5 | ✓ Clean |
Oc1cccc(CNc2ccccc2F)c1
|
| ZINC16648552 | 0.522 | 246.3 Da LogP 1.55 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CC[C@@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O
|
| ZINC16648554 | 0.522 | 246.3 Da LogP 1.55 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CC[C@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O
|
| ZINC2334905 | 0.522 | 261.4 Da LogP 1.10 TPSA 63.9 | ✓ Ro5 | ✓ Clean |
CC(C)CCN(CCC(C)C)C(CO)(CO)CO
|
| ZINC3159953 | 0.522 | 261.4 Da LogP 1.38 TPSA 63.9 | ✓ Ro5 | ✓ Clean |
CCCCCN(CCCCC)C(CO)(CO)CO
|
| ZINC208543 | 0.517 | 203.2 Da LogP 1.87 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc2c(c1)C(=O)NC2=O
|
| ZINC5268326 | 0.511 | 298.3 Da LogP 1.89 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O
|
| ZINC4078608 | 0.510 | 294.3 Da LogP 2.14 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(CCc1ccccc1)Nc1cccc2c1C(=O)NC2=O
|
| ZINC1027896 | 0.500 | 266.2 Da LogP 0.61 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc1c2c43
|
| ZINC115286332 | 0.500 | 237.3 Da LogP 2.16 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2c(Cc3ccccc3)cccc21
|
| ZINC13973188 | 0.500 | 330.3 Da LogP 2.90 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccc2ccccc2c1)Nc1cccc2c1C(=O)NC2=O
|
| ZINC1728849 | 0.500 | 215.1 Da LogP 1.59 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2cc(C(F)(F)F)ccc21
|
| ZINC1758087 | 0.500 | 204.2 Da LogP 0.53 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1ccc2c(c1)C(=O)NC2=O
|
| ZINC226859898 | 0.500 | 332.3 Da LogP 1.39 TPSA 112.6 | ✓ Ro5 | Alert |
Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
|
| ZINC37125052 | 0.500 | 256.3 Da LogP 2.03 TPSA 75.4 | ✓ Ro5 | ✓ Clean |
NC(=O)Cc1ccccc1NCc1cccc(O)c1
|
| ZINC3896782 | 0.500 | 224.2 Da LogP 2.17 TPSA 54.4 | ✓ Ro5 | Alert |
O=C1c2ccccc2C(=O)c2cc(O)ccc21
|
| ZINC401250 | 0.500 | 249.3 Da LogP 4.16 TPSA 32.3 | ✓ Ro5 | Alert |
Oc1ccccc1CNc1cccc2ccccc12
|
| ZINC5297554 | 0.500 | 289.5 Da LogP 2.16 TPSA 63.9 | ✓ Ro5 | ✓ Clean |
CCCCCCN(CCCCCC)C(CO)(CO)CO
|
| ZINC55221 | 0.500 | 223.2 Da LogP 2.24 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2cc(-c3ccccc3)ccc21
|
| ZINC575432149 | 0.500 | 254.0 Da LogP 0.90 TPSA 63.2 | ✓ Ro5 | ✓ Clean |
O=C1NC(=O)c2cc(Br)ccc2C1=O
|
| ZINC97941822 | 0.500 | 317.5 Da LogP 2.94 TPSA 63.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCN(CCCCCCC)C(CO)(CO)CO
|
| ZINC97942927 | 0.500 | 373.6 Da LogP 4.51 TPSA 63.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO
|
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.