Overview
Basic information about this protein and its source genome.
- Accession
- PA3479
- Gene
- PA3479 rhlA
- Status
- annotated
- Amino acids
- 295
- 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)
5- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0016746 Catalysis of the transfer of an acyl group from one compound (donor) to another (acceptor).
- GO:0090499 Catalysis of the reaction: 6-carboxyhexanoyl-[ACP] methyl ester + H2O = 6-carboxyhexanoyl-[ACP] + H+ + methanol.
- GO:0009102 The chemical reactions and pathways resulting in the formation of biotin, cis-tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid.
- GO:0106236 The chemical reactions and pathways resulting in the formation/production of a glycolipid surfactant that acts as a bacterial biofilm dispersal.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 8 | 274 | SUPERFAMILY | SSF53474 | alpha/beta-Hydrolases |
| 8 | 274 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
| 30 | 252 | Pfam | PF00561 | alpha/beta hydrolase fold |
| 30 | 252 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 8 | 273 | Gene3D | G3DSA:3.40.50.1820 | alpha/beta hydrolase |
| 8 | 273 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
| 27 | 274 | PANTHER | PTHR43194 | HYDROLASE ALPHA/BETA FOLD 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
1 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
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 | 0.821 |
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 | 58.75 | 0.986 | ||||||
| 2 | 1.33 | 0.015 | ||||||
| 3 | 0.78 | 0.002 |
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 | 0.873 | ||||||
| 3 | 0.714 |
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).
| Ligand | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| CHEMBL2337127 | — | 408.5 Da LogP 6.12 TPSA 66.8 | 1 viol. | ✓ Clean |
COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)CCC=C…
|
| CHEMBL4462379 | — | 401.4 Da LogP 6.80 TPSA 39.2 | 1 viol. | ✓ Clean |
CCCCCCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12
|
| CHEMBL4464075 | — | 423.4 Da LogP 6.15 TPSA 48.4 | 1 viol. | ✓ Clean |
COc1ccc(C(=O)Oc2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc…
|
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 |
|---|---|---|---|---|---|
| ZINC13340605 | 0.827 | 340.4 Da LogP 4.39 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C
|
| ZINC13339634 | 0.593 | 306.4 Da LogP 4.34 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O
|
| ZINC13383009 | 0.593 | 332.4 Da LogP 4.98 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O
|
| ZINC309892 | 0.593 | 293.3 Da LogP 3.77 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)Oc2cccc3ccc(C)nc23)cc1
|
| ZINC293667 | 0.545 | 279.3 Da LogP 3.46 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)Oc2cccc3cccnc23)cc1
|
| ZINC15115243 | 0.532 | 338.4 Da LogP 4.78 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C
|
| ZINC3128373 | 0.530 | 398.3 Da LogP 4.87 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COc1cccc(-c2ccc(C#N)c(OC(=O)c3cccc(C(F)(F)F)c3)…
|
| ZINC1395323 | 0.526 | 333.3 Da LogP 4.94 TPSA 31.4 | ✓ Ro5 | ✓ Clean |
COc1ccc(OC)c2nc(-c3cccc(C(F)(F)F)c3)ccc12
|
| ZINC144821496 | 0.525 | 304.4 Da LogP 4.34 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CC(C)=CCC/C(C)=C/Cc1c(O)cc(C)c(C(=O)O)c1O
|
| ZINC15120543 | 0.525 | 288.4 Da LogP 4.63 TPSA 46.5 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)O)cc1C/C=C(\C)CCC=C(C)C
|
| ZINC14590790 | 0.517 | 296.4 Da LogP 4.69 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
COc1cc(CCc2ccccc2)cc(O)c1CC=C(C)C
|
| ZINC3240334 | 0.517 | 338.3 Da LogP 3.75 TPSA 52.6 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1
|
| ZINC2169452 | 0.509 | 242.3 Da LogP 4.33 TPSA 26.3 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)Oc1cccc2ccccc12
|
| ZINC196440 | 0.508 | 293.3 Da LogP 3.77 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
COc1cccc(C(=O)Oc2cccc3ccc(C)nc23)c1
|
| ZINC4932735 | 0.500 | 362.3 Da LogP 3.25 TPSA 69.9 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
|
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.