Overview
Basic information about this protein and its source genome.
- Accession
- PA5082
- Gene
- PA5082
- Status
- annotated
- Amino acids
- 299
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Periplasmic
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)
4- GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
- GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
- GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
- GO:0042940 The directed movement of the D-enantiomer of an amino acid into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 22 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 1 | 271 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 38 | 268 | Pfam | PF00497 | Bacterial extracellular solute-binding proteins, family 3 |
| 38 | 268 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 37 | 270 | SMART | SM00062 | AABind_6 |
| 37 | 270 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 132 | 227 | Gene3D | G3DSA:3.40.190.10 | - |
| 23 | 299 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 22 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 7 | 295 | PANTHER | PTHR30085 | AMINO ACID ABC TRANSPORTER PERMEASE |
| 16 | 22 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 22 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 28 | 272 | Gene3D | G3DSA:3.40.190.10 | - |
| 29 | 267 | CDD | cd13688 | PBP2_GltI_DEBP |
| 4 | 15 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 132 | 227 | FunFam | G3DSA:3.40.190.10:FF:000052 | Amino acid ABC transporter substrate-binding protein |
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
PA5082
|
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 | 0.573 | ||||||
| 1 | 0.309 |
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).
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 |
|---|---|---|---|---|---|
| ZINC1575288 | 0.560 | 248.2 Da LogP -2.17 TPSA 167.0 | ✓ Ro5 | ✓ Clean |
N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
|
| ZINC1575289 | 0.560 | 248.2 Da LogP -2.17 TPSA 167.0 | ✓ Ro5 | ✓ Clean |
N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
|
| ZINC1575290 | 0.560 | 248.2 Da LogP -2.17 TPSA 167.0 | ✓ Ro5 | ✓ Clean |
N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O
|
| ZINC1575291 | 0.560 | 248.2 Da LogP -2.17 TPSA 167.0 | ✓ Ro5 | ✓ Clean |
N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O
|
| ZINC144076260 | 0.559 | 232.2 Da LogP -0.84 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNC(=O)CC(=O)O)C(=O)O
|
| ZINC218922593 | 0.559 | 204.2 Da LogP -1.32 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNC(=O)CO)C(=O)O
|
| ZINC12503853 | 0.556 | 201.3 Da LogP 0.55 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
CCCC(=N)NCCC[C@H](N)C(=O)O
|
| ZINC1640080 | 0.556 | 232.3 Da LogP 0.70 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O
|
| ZINC217503161 | 0.556 | 230.3 Da LogP 0.88 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC2560765 | 0.556 | 232.3 Da LogP 0.70 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)O
|
| ZINC3055005 | 0.556 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.556 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.556 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC675038108 | 0.556 | 231.3 Da LogP -1.49 TPSA 123.3 | 1 viol. | ✓ Clean |
CNC(NC)C(=N)NCCC[C@H](N)C(=O)O
|
| ZINC100017163 | 0.553 | 213.3 Da LogP 0.71 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
C/C=C/CC(=N)NCCC[C@H](N)C(=O)O
|
| ZINC19796052 | 0.553 | 219.2 Da LogP -1.73 TPSA 156.9 | ✓ Ro5 | ✓ Clean |
N/C(=N\[N+](=O)[O-])NCCC[C@H](N)C(=O)O
|
| ZINC21982226 | 0.553 | 219.2 Da LogP -1.73 TPSA 156.9 | ✓ Ro5 | ✓ Clean |
N/C(=N\[N+](=O)[O-])NCCC[C@@H](N)C(=O)O
|
| ZINC5113209 | 0.548 | 275.3 Da LogP -0.26 TPSA 138.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC13545298 | 0.543 | 202.3 Da LogP 0.09 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CCC(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC216616240 | 0.543 | 430.5 Da LogP 0.72 TPSA 184.8 | 1 viol. | ✓ Clean |
N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](N)C(=O)…
|
| ZINC6360447 | 0.543 | 222.3 Da LogP 0.37 TPSA 75.3 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCNC(=S)S)C(=O)O
|
| ZINC1530092 | 0.541 | 254.2 Da LogP -1.61 TPSA 168.8 | 1 viol. | ✓ Clean |
N=C(NCCC[C@H](N)C(=O)O)NP(=O)(O)O
|
| ZINC230402790 | 0.541 | 214.3 Da LogP 0.26 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
C/C=C/C(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC237993466 | 0.541 | 214.3 Da LogP 0.26 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
C/C=C/C(=O)NCCCC[C@@H](N)C(=O)O
|
| ZINC2509855 | 0.541 | 216.2 Da LogP 0.09 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
C=CCOC(=O)NCCC[C@H](N)C(=O)O
|
| ZINC5965908 | 0.541 | 202.3 Da LogP -1.03 TPSA 99.7 | ✓ Ro5 | ✓ Clean |
C/N=C(\NC)NCCC[C@H](N)C(=O)O
|
| ZINC98044182 | 0.541 | 216.2 Da LogP 0.09 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
C=CCOC(=O)NCCC[C@@H](N)C(=O)O
|
| ZINC1555366 | 0.536 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.536 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.536 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.536 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.536 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.536 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1565131 | 0.528 | 200.2 Da LogP -0.13 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
C=CC(=O)NCCCC[C@@H](N)C(=O)O
|
| ZINC1567145 | 0.528 | 218.3 Da LogP 0.31 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
CCOC(=O)NCCCC[C@@H](N)C(=O)O
|
| ZINC1608689 | 0.528 | 202.3 Da LogP 0.09 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CCCCNC(=O)CC[C@H](N)C(=O)O
|
| ZINC1737889 | 0.528 | 245.3 Da LogP -0.33 TPSA 118.4 | ✓ Ro5 | ✓ Clean |
CC(C)[C@H](N)C(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC1737892 | 0.528 | 245.3 Da LogP -0.33 TPSA 118.4 | ✓ Ro5 | ✓ Clean |
CC(C)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC1737894 | 0.528 | 245.3 Da LogP -0.33 TPSA 118.4 | ✓ Ro5 | ✓ Clean |
CC(C)[C@H](N)C(=O)NCCCC[C@@H](N)C(=O)O
|
| ZINC1737898 | 0.528 | 245.3 Da LogP -0.33 TPSA 118.4 | ✓ Ro5 | ✓ Clean |
CC(C)[C@@H](N)C(=O)NCCCC[C@@H](N)C(=O)O
|
| ZINC2027403 | 0.528 | 200.2 Da LogP -0.13 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
C=CC(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC2041390 | 0.528 | 218.3 Da LogP 0.31 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
CCOC(=O)NCCCC[C@H](N)C(=O)O
|
| ZINC2045835 | 0.528 | 202.3 Da LogP 0.09 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CCCCNC(=O)CC[C@@H](N)C(=O)O
|
| ZINC2384794 | 0.528 | 242.2 Da LogP 0.25 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O
|
| ZINC6292525 | 0.528 | 242.2 Da LogP 0.25 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O
|
| ZINC71754172 | 0.528 | 246.3 Da LogP -0.45 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)O
|
| ZINC1529646 | 0.526 | 290.3 Da LogP -1.78 TPSA 185.8 | 1 viol. | ✓ Clean |
N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O
|
| ZINC2028776 | 0.526 | 307.6 Da LogP 1.27 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCNC(=O)OCC(Cl)(Cl)Cl)C(=O)O
|
| ZINC2028780 | 0.526 | 307.6 Da LogP 1.27 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCNC(=O)OCC(Cl)(Cl)Cl)C(=O)O
|
| ZINC2043460 | 0.526 | 214.3 Da LogP -0.52 TPSA 111.2 | ✓ Ro5 | ✓ Clean |
C=CCNC(=N)NCCC[C@H](N)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.