Overview
Basic information about this protein and its source genome.
- Accession
- PA2599
- Gene
- PA2599
- Status
- annotated
- Amino acids
- 314
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Unknown
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)
3- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
- GO:0042626 Primary active transporter of a solute across a membrane, via the reaction: ATP + H2O = ADP + phosphate, to directly drive the transport of a substance across a membrane. The transport protein may be transiently phosphorylated (P-type transporters), or not (ABC-type transporters and other families of transporters). Primary active transport occurs up the solute's concentration gradient and is driven by a primary energy source.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 31 | 300 | Gene3D | G3DSA:3.40.190.10 | - |
| 1 | 23 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 106 | 205 | FunFam | G3DSA:3.40.190.10:FF:000050 | Sulfonate ABC transporter substrate-binding protein |
| 28 | 241 | SMART | SM00062 | AABind_6 |
| 28 | 241 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 28 | 293 | CDD | cd13558 | PBP2_SsuA_like_2 |
| 67 | 241 | Pfam | PF09084 | NMT1/THI5 like |
| 67 | 241 | InterPro | IPR015168 | SsuA/THI5-like |
| 1 | 6 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 23 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 30 | 309 | NCBIfam | TIGR01728 | aliphatic sulfonate ABC transporter substrate-binding protein |
| 30 | 309 | InterPro | IPR010067 | Aliphatic sulfonates-binding protein |
| 7 | 18 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 7 | 311 | PANTHER | PTHR30024 | ALIPHATIC SULFONATES-BINDING PROTEIN-RELATED |
| 33 | 256 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 1 | 23 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 24 | 314 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 19 | 23 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 106 | 205 | Gene3D | G3DSA:3.40.190.10 | - |
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
PA2599
|
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.854 | ||||||
| 4 | 0.598 | ||||||
| 3 | 0.32 |
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 |
|---|---|---|---|---|---|---|
| LUQ | Q47537 | 182.2 Da LogP -2.05 TPSA 109.5 | ✓ Ro5 | ✓ Clean |
C(CS(=O)(=O)O)NCC(=O)N
|
|
| P7I | Q47537 | 125.1 Da LogP -0.88 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
C(CP(=O)(O)O)N
|
|
| TAU | Q47537 | 125.1 Da LogP -1.17 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
C(CS(=O)(=O)O)N
|
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 |
|---|---|---|---|---|---|
| ZINC59471161 | 0.600 | 265.4 Da LogP 2.73 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
NCCCCCCCCCCCCS(=O)(=O)O
|
| ZINC96639846 | 0.600 | 265.3 Da LogP 3.02 TPSA 83.6 | ✓ Ro5 | ✓ Clean |
NCCCCCCCCCCCCP(=O)(O)O
|
| ZINC1763010 | 0.529 | 218.3 Da LogP -0.46 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCS(=O)(=O)O
|
| ZINC2381636 | 0.529 | 218.1 Da LogP 0.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCP(=O)(O)O
|
| ZINC31962397 | 0.529 | 204.1 Da LogP -0.27 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCP(=O)(O)O
|
| ZINC5225211 | 0.529 | 204.2 Da LogP -0.85 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCS(=O)(=O)O
|
| ZINC396177158 | 0.522 | 257.3 Da LogP -1.12 TPSA 108.1 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCS(=O)(=O)O
|
| ZINC2381412 | 0.500 | 246.1 Da LogP 0.90 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCP(=O)(O)O
|
| ZINC2569998 | 0.500 | 232.1 Da LogP 0.51 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCP(=O)(O)O
|
| ZINC34227522 | 0.500 | 302.2 Da LogP 2.46 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCCCP(=O)(O)O
|
| ZINC34744001 | 0.500 | 274.2 Da LogP 1.68 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCP(=O)(O)O
|
| ZINC38594934 | 0.500 | 330.3 Da LogP 3.24 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCCCCCP(=O)(O)O
|
| ZINC5113156 | 0.500 | 246.3 Da LogP 0.32 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCCCS(=O)(=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.