KpKP13 Protein target profile

Bacterioferritin

Accession: KP13_00746

Gene: bfr AHE42363.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GU32
Length 158
Pocket druggability (P2Rank · AlphaFold DB model) 0.09
Direct ligand evidence 0 63 total records
Functional annotation 1 EC 7 GO
Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Terms and data sources used on this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target
No hit
Gut microbiome similarity
3.4% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
0.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT
97.36 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.09
Structure A0A0H3GU32
Pocket Pocket 1
Druggability (FPocket) 0.331
Structure A0A0H3GU32
Pocket Pocket 4
ColabFold model
P2Rank 0.06 · Pocket 1
FPocket 0.22 · Pocket 4
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 161 / 4744 genomes with a hit
Prevalence 3.4%

Sequence

Primary amino-acid sequence viewer.

MKGDVKIISYLNKLLGNELVAINQYFLHARMFKNWGLMRLNDIEYHESIDEMKHADKYIERILFLEGIPNLQDLGKLGIGEDVEEMLRSDLRLELEGAQNLREAIAYADSVHDYVSRDMMIEILADEEGHIDWLETELDLIGKIGLQNYLQSQIKVSD

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

7
  • GO:0008199 Binding to a ferric iron ion, Fe(III).
  • 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.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • 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:0140315 Binding to an iron ion to prevent it from interacting with other partners or to inhibit its localization to the area of the cell or complex where it is active.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

32 records
Show feature table
Start End DB Term Name
1 158 Gene3D G3DSA:1.20.1260.10 -
1 158 InterPro IPR012347 Ferritin-like
1 157 PIRSF PIRSF002560 Bacterioferritin
1 157 InterPro IPR002024 Bacterioferritin
1 154 SUPERFAMILY SSF47240 Ferritin-like
1 154 InterPro IPR009078 Ferritin-like superfamily
1 155 NCBIfam TIGR00754 bacterioferritin
1 155 InterPro IPR002024 Bacterioferritin
2 154 CDD cd00907 Bacterioferritin
2 154 InterPro IPR002024 Bacterioferritin
2 155 PANTHER PTHR30295 BACTERIOFERRITIN
1 145 ProSiteProfiles PS50905 Ferritin-like diiron domain profile.
1 145 InterPro IPR009040 Ferritin-like diiron domain
86 106 PRINTS PR00601 Bacterioferritin signature
86 106 InterPro IPR002024 Bacterioferritin
65 85 PRINTS PR00601 Bacterioferritin signature
65 85 InterPro IPR002024 Bacterioferritin
128 149 PRINTS PR00601 Bacterioferritin signature
128 149 InterPro IPR002024 Bacterioferritin
3 22 PRINTS PR00601 Bacterioferritin signature
3 22 InterPro IPR002024 Bacterioferritin
23 43 PRINTS PR00601 Bacterioferritin signature
23 43 InterPro IPR002024 Bacterioferritin
44 64 PRINTS PR00601 Bacterioferritin signature
44 64 InterPro IPR002024 Bacterioferritin
107 127 PRINTS PR00601 Bacterioferritin signature
107 127 InterPro IPR002024 Bacterioferritin
1 19 ProSitePatterns PS00549 Bacterioferritin signature.
1 19 InterPro IPR002024 Bacterioferritin
9 142 Pfam PF00210 Ferritin-like domain
9 142 InterPro IPR008331 Ferritin/DPS protein domain
1 158 FunFam G3DSA:1.20.1260.10:FF:000005 Bacterioferritin

3D structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

Download VMD script Full viewer

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Pocket score High Medium Low
How colors and pocket overlays are used
Uniform protein color marks the displayed model as a single molecular object.
Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.
Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.
'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.
'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.
'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.09
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.049
Show in viewer
Surrounding area

Binding pockets · FPocket

Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Pocket 1 FPocket #4
0.331
Show in viewer
Surrounding area
All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold DB AF_A0A0H3GU32
AlphaFold DB full sequence Viewing
ColabFold KP13_00746
ColabFold full sequence Loaded

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
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 13 records from similar proteins
Structural ligands 13 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
3PY PDB via homolog 104.1 Da · LogP -1.37 · TPSA 74.6 Open detail RCSB PDB
BTB PDB via homolog Detail RCSB PDB
CXS PDB via homolog Detail RCSB PDB
FEC PDB via homolog Detail RCSB PDB
FES PDB via homolog Detail RCSB PDB

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
3PY RCSB PDB Q93PP9 104.1 Da LogP -1.37 TPSA 74.6 ✓ Ro5 ✓ Clean C(C(=O)C(=O)O)O
BTB RCSB PDB P0ABD3 209.2 Da LogP -3.01 TPSA 104.4 ✓ Ro5 ✓ Clean C(CO)N(CCO)C(CO)(CO)CO
CXS RCSB PDB Q9HWF9 221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)O
FEC RCSB PDB 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 RCSB PDB Q9HY79 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1
KSY RCSB PDB Q9HY79 296.3 Da LogP 2.32 TPSA 78.4 ✓ Ro5 ✓ Clean c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O
KT1 RCSB PDB Q9HY79 326.4 Da LogP 2.33 TPSA 87.7 ✓ Ro5 ✓ Clean COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O
KT4 RCSB PDB Q9HY79 312.3 Da LogP 2.03 TPSA 98.7 ✓ Ro5 ✓ Clean c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O
KT7 RCSB PDB Q9HY79 163.1 Da LogP 0.28 TPSA 66.4 ✓ Ro5 ✓ Clean c1cc2c(cc1O)C(=O)NC2=O
KTG RCSB PDB Q9HY79 296.3 Da LogP 2.32 TPSA 78.4 ✓ Ro5 ✓ Clean c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O
KTM RCSB PDB Q9HY79 268.3 Da LogP 1.89 TPSA 78.4 ✓ Ro5 Alert c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O
KTV RCSB PDB Q9HY79 268.3 Da LogP 1.89 TPSA 78.4 ✓ Ro5 ✓ Clean c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O
MLI RCSB PDB P0ABD3 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=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.

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.