Protein profile
PA3364
aliphatic amidase expression-regulating protein
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA3364
- Gene
- amiC PA3364
- Status
- annotated
- Amino acids
- 385
- 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.
Gene Ontology (GO)
4- GO:0033218 OBSOLETE. Binding to an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
- GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
- 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:0034251 OBSOLETE. Any process that modulates the frequency, rate or extent of the chemical reactions and pathways resulting in the breakdown of amides.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 10 | 375 | SUPERFAMILY | SSF53822 | Periplasmic binding protein-like I |
| 10 | 375 | InterPro | IPR028082 | Periplasmic binding protein-like I |
| 3 | 379 | PANTHER | PTHR47628 | - |
| 11 | 338 | Gene3D | G3DSA:3.40.50.2300 | - |
| 123 | 353 | Gene3D | G3DSA:3.40.50.2300 | - |
| 10 | 370 | Pfam | PF13433 | Periplasmic binding protein domain |
| 10 | 366 | CDD | cd06357 | PBP1_AmiC |
| 10 | 366 | InterPro | IPR039570 | AmiC, periplasmic binding domain |
| 30 | 46 | PRINTS | PR00337 | Leu/Ile/Val-binding protein family signature |
| 30 | 46 | InterPro | IPR000709 | Leu/Ile/Val-binding protein |
| 237 | 255 | PRINTS | PR00337 | Leu/Ile/Val-binding protein family signature |
| 237 | 255 | InterPro | IPR000709 | Leu/Ile/Val-binding protein |
| 71 | 81 | PRINTS | PR00337 | Leu/Ile/Val-binding protein family signature |
| 71 | 81 | InterPro | IPR000709 | Leu/Ile/Val-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
3 + 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 | 0.45 |
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 | 1.06 | 0.007 | ||||||
| 2 | 0.63 | 0.001 | ||||||
| 3 | 0.48 | 0.0 |
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 | 0.767 |
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.
| Ligand | Source crystal | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ACM | 59.1 Da LogP -0.51 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CC(=O)N
|
|
| BMD | 87.1 Da LogP 0.27 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CCCC(=O)N
|
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 |
|---|---|---|---|---|---|---|
| AAE | A0A0H2WF95 | 102.1 Da LogP 0.05 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CC(=O)CC(=O)O
|
|
| NIO | Q2RWX8 | 123.1 Da LogP 0.78 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
c1cc(cnc1)C(=O)O
|
|
| PHB | Q2IXT5 | 138.1 Da LogP 1.09 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1C(=O)O)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).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC389804 | 0.842 | 214.2 Da LogP 2.76 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccc(O)cc2)cc1
|
| ZINC1592410 | 0.739 | 212.2 Da LogP 1.54 TPSA 59.9 | ✓ Ro5 | Alert |
O=C(C(=O)c1cccnc1)c1cccnc1
|
| ZINC33246180 | 0.727 | 242.2 Da LogP 3.51 TPSA 82.2 | ✓ Ro5 | Alert |
O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1
|
| ZINC3896282 | 0.727 | 242.2 Da LogP 3.51 TPSA 82.2 | ✓ Ro5 | Alert |
O=C(O)c1ccc(/N=N/c2ccc(O)cc2)cc1
|
| ZINC392302 | 0.727 | 230.2 Da LogP 2.88 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(Oc2ccc(O)cc2)cc1
|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC289893 | 0.696 | 278.3 Da LogP 1.92 TPSA 91.7 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
|
| ZINC114185151 | 0.667 | 298.2 Da LogP 2.15 TPSA 108.7 | ✓ Ro5 | Alert |
O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1
|
| ZINC2924369 | 0.667 | 242.2 Da LogP 2.16 TPSA 74.6 | ✓ Ro5 | Alert |
O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
|
| ZINC3593496 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC100077468 | 0.643 | 225.2 Da LogP 2.54 TPSA 47.0 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1ccccc1
|
| ZINC3156317 | 0.640 | 258.2 Da LogP 2.31 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(OC(=O)c2ccc(O)cc2)cc1
|
| ZINC4903179 | 0.640 | 257.2 Da LogP 2.34 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(NC(=O)c2ccc(O)cc2)cc1
|
| ZINC8419477 | 0.633 | 200.2 Da LogP 1.84 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cncc(-c2cccnc2)c1
|
| ZINC134079 | 0.632 | 242.2 Da LogP 2.75 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
|
| ZINC1640789 | 0.632 | 374.3 Da LogP 3.55 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc…
|
| ZINC1693895 | 0.632 | 227.4 Da LogP 4.17 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(N)=O
|
| ZINC2146859 | 0.632 | 270.2 Da LogP 2.31 TPSA 91.7 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1
|
| ZINC2170606 | 0.632 | 213.4 Da LogP 3.78 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(N)=O
|
| ZINC28449 | 0.632 | 214.2 Da LogP 2.33 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(O)cc1)c1ccc(O)cc1
|
| ZINC3147211 | 0.632 | 318.3 Da LogP 4.42 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1
|
| ZINC332365 | 0.632 | 318.3 Da LogP 3.56 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1
|
| ZINC86040350 | 0.632 | 241.4 Da LogP 4.56 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCC(N)=O
|
| ZINC8689949 | 0.632 | 255.4 Da LogP 4.95 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(N)=O
|
| ZINC100083979 | 0.630 | 226.2 Da LogP 1.93 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1cccnc1
|
| ZINC14686440 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…
|
| ZINC14686442 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…
|
| ZINC14686444 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…
|
| ZINC517333 | 0.625 | 242.2 Da LogP 2.03 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(NC(=O)c2cccnc2)cc1
|
| ZINC3150114 | 0.621 | 296.3 Da LogP 1.07 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)N1CCN(C(=O)c2cccnc2)CC1
|
| ZINC1705144 | 0.619 | 226.2 Da LogP 2.46 TPSA 54.4 | ✓ Ro5 | Alert |
O=C(C(=O)c1ccc(O)cc1)c1ccccc1
|
| ZINC1675504 | 0.613 | 289.3 Da LogP 3.20 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)C(O)(c1ccccc1)c1ccccc1
|
| ZINC20442012 | 0.613 | 200.2 Da LogP 1.84 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2cccnc2)nc1
|
| ZINC227663 | 0.613 | 295.3 Da LogP 1.68 TPSA 53.5 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1
|
| ZINC19091377 | 0.600 | 201.2 Da LogP 1.24 TPSA 76.0 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cnc(-c2cccnc2)nc1
|
| ZINC1666238 | 0.594 | 226.2 Da LogP -1.47 TPSA 102.7 | ✓ Ro5 | ✓ Clean |
O=C(NC(CO)(CO)CO)c1cccnc1
|
| ZINC47214419 | 0.594 | 200.2 Da LogP 1.84 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccnc(-c2cccnc2)c1
|
| ZINC68983603 | 0.594 | 215.2 Da LogP 2.57 TPSA 59.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(Oc2cccnc2)c1
|
| ZINC1569727 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC1569728 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC1569729 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)O
|
| ZINC1569730 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](N)C(=O)N[C@H](C)C(=O)O
|
| ZINC6338454 | 0.593 | 268.3 Da LogP 2.99 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1
|
| ZINC7739376 | 0.588 | 253.3 Da LogP 2.68 TPSA 67.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(/C=C/C(=O)c2cccnc2)cc1
|
| ZINC873432 | 0.588 | 242.2 Da LogP 2.03 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(NC(=O)c2cccnc2)c1
|
| ZINC2522597 | 0.586 | 246.3 Da LogP -0.60 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O
|
| ZINC65340137 | 0.583 | 258.2 Da LogP 2.46 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(C(=O)O)cc(-c2ccc(O)cc2)c1
|
| ZINC36904276 | 0.581 | 215.2 Da LogP 2.57 TPSA 59.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(Oc2cccnc2)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.