Overview
Basic information about this protein and its source genome.
- Accession
- PA4386
- Gene
- PA4386 mopB groS groES
- Status
- annotated
- Amino acids
- 97
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 51.111
- Human E-value
- 3.54e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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.
Gene Ontology (GO)
7- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
- GO:0046872 Binding to a metal ion.
- GO:0044183 Binding to a protein or a protein-containing complex to assist the protein folding process.
- GO:0051087 Binding to a chaperone protein, a class of proteins that bind to nascent or unfolded polypeptides and ensure correct folding or transport.
- GO:0051082 Binding to an unfolded protein.
- GO:0006457 The process of assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 3 | 27 | ProSitePatterns | PS00681 | Chaperonins cpn10 signature. |
| 3 | 27 | InterPro | IPR018369 | Chaperonin GroES, conserved site |
| 1 | 97 | Gene3D | G3DSA:2.30.33.40 | GroES chaperonin |
| 1 | 97 | InterPro | IPR037124 | GroES chaperonin superfamily |
| 2 | 95 | SMART | SM00883 | Cpn10_2 |
| 2 | 95 | InterPro | IPR020818 | GroES chaperonin family |
| 2 | 94 | Pfam | PF00166 | Chaperonin 10 Kd subunit |
| 2 | 94 | InterPro | IPR020818 | GroES chaperonin family |
| 1 | 96 | SUPERFAMILY | SSF50129 | GroES-like |
| 1 | 96 | InterPro | IPR011032 | GroES-like superfamily |
| 2 | 96 | Hamap | MF_00580 | Co-chaperonin GroES [groES]. |
| 2 | 96 | InterPro | IPR020818 | GroES chaperonin family |
| 2 | 95 | CDD | cd00320 | cpn10 |
| 2 | 94 | PANTHER | PTHR10772 | 10 KDA HEAT SHOCK PROTEIN |
| 1 | 97 | FunFam | G3DSA:2.30.33.40:FF:000001 | 10 kDa chaperonin |
| 25 | 46 | PRINTS | PR00297 | 10kDa chaperonin signature |
| 25 | 46 | InterPro | IPR020818 | GroES chaperonin family |
| 3 | 18 | PRINTS | PR00297 | 10kDa chaperonin signature |
| 3 | 18 | InterPro | IPR020818 | GroES chaperonin family |
| 60 | 72 | PRINTS | PR00297 | 10kDa chaperonin signature |
| 60 | 72 | InterPro | IPR020818 | GroES chaperonin family |
| 82 | 95 | PRINTS | PR00297 | 10kDa chaperonin signature |
| 82 | 95 | InterPro | IPR020818 | GroES chaperonin family |
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 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA4386
|
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 | 0.912 |
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.
No PDB ligands found through similar proteins.
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| DWT | P61604 | 7.12 | 503.5 Da LogP 5.75 TPSA 97.6 | 2 viol. | ✓ Clean |
Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…
|
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 |
|---|---|---|---|---|---|
| ZINC220133900 | 0.538 | 398.3 Da LogP 3.77 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…
|
| ZINC20148987 | 0.532 | 414.4 Da LogP 4.50 TPSA 97.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)…
|
| ZINC9306398 | 0.512 | 398.3 Da LogP 3.77 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)…
|
| ZINC5049572 | 0.507 | 336.3 Da LogP 4.22 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C
|
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.