Protein profile
KP13_02553
Iron transport system periplasmic binding component SitA
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_02553
- Gene
- AHE43016.1 sitA
- Status
- annotated
- Amino acids
- 305
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- Periplasmic
- ColabFold pLDDT
- 92.43
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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.
Gene Ontology (GO)
4- GO:0030001 The directed movement of metal ions, any metal ion with an electric charge, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
- GO:0007155 The attachment of a cell, either to another cell or to an underlying substrate such as the extracellular matrix, via cell adhesion molecules.
- GO:0046872 Binding to a metal ion.
- GO:0030313 An envelope that surrounds a bacterial cell and includes the cytoplasmic membrane and everything external, encompassing the periplasmic space, cell wall, and outer membrane if present.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 28 | 185 | Gene3D | G3DSA:3.40.50.1980 | Nitrogenase molybdenum iron protein domain |
| 1 | 26 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 10 | 21 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 186 | 297 | Gene3D | G3DSA:3.40.50.1980 | Nitrogenase molybdenum iron protein domain |
| 32 | 295 | Pfam | PF01297 | Zinc-uptake complex component A periplasmic |
| 32 | 295 | InterPro | IPR006127 | Periplasmic solute binding protein, ZnuA-like |
| 1 | 26 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 22 | 26 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 27 | 297 | CDD | cd01137 | PsaA |
| 27 | 305 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 26 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 184 | 201 | PRINTS | PR00691 | Adhesin B signature |
| 184 | 201 | InterPro | IPR006129 | Adhesin B |
| 73 | 92 | PRINTS | PR00691 | Adhesin B signature |
| 73 | 92 | InterPro | IPR006129 | Adhesin B |
| 233 | 250 | PRINTS | PR00691 | Adhesin B signature |
| 233 | 250 | InterPro | IPR006129 | Adhesin B |
| 29 | 50 | PRINTS | PR00691 | Adhesin B signature |
| 29 | 50 | InterPro | IPR006129 | Adhesin B |
| 210 | 228 | PRINTS | PR00691 | Adhesin B signature |
| 210 | 228 | InterPro | IPR006129 | Adhesin B |
| 255 | 273 | PRINTS | PR00691 | Adhesin B signature |
| 255 | 273 | InterPro | IPR006129 | Adhesin B |
| 54 | 72 | PRINTS | PR00691 | Adhesin B signature |
| 54 | 72 | InterPro | IPR006129 | Adhesin B |
| 6 | 298 | PANTHER | PTHR42953 | HIGH-AFFINITY ZINC UPTAKE SYSTEM PROTEIN ZNUA-RELATED |
| 25 | 298 | SUPERFAMILY | SSF53807 | Helical backbone metal receptor |
| 263 | 282 | PRINTS | PR00690 | Adhesin family signature |
| 263 | 282 | InterPro | IPR006128 | Adhesion lipoprotein |
| 237 | 255 | PRINTS | PR00690 | Adhesin family signature |
| 237 | 255 | InterPro | IPR006128 | Adhesion lipoprotein |
| 29 | 47 | PRINTS | PR00690 | Adhesin family signature |
| 29 | 47 | InterPro | IPR006128 | Adhesion lipoprotein |
| 60 | 73 | PRINTS | PR00690 | Adhesin family signature |
| 60 | 73 | InterPro | IPR006128 | Adhesion lipoprotein |
| 73 | 90 | PRINTS | PR00690 | Adhesin family signature |
| 73 | 90 | InterPro | IPR006128 | Adhesion lipoprotein |
| 184 | 205 | PRINTS | PR00690 | Adhesin family signature |
| 184 | 205 | InterPro | IPR006128 | Adhesion lipoprotein |
| 1 | 9 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
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
0 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GXB1
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_02553
|
ColabFold | — | — | 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 | 0.356 |
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 |
|---|---|---|---|---|---|---|---|
| 7 | 0.214 |
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 |
|---|---|---|---|---|---|---|
| CAC | Q79EF9 | 137.0 Da LogP -0.52 TPSA 40.1 | ✓ Ro5 | ✓ Clean |
C[As](=O)(C)[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).
No virtual-screening candidates for this protein.
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.