Protein profile
PA3871
PpiC-type peptidyl-prolyl cis-trans isomerase
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA3871
- Gene
- PA3871
- Status
- annotated
- Amino acids
- 272
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Enzyme Commission (EC)
1Gene Ontology (GO)
1- GO:0003755 Catalysis of the reaction: peptidyl-proline (omega=180) = peptidyl-proline (omega=0).
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 115 | 216 | ProSiteProfiles | PS50198 | PpiC-type peptidyl-prolyl cis-trans isomerase family profile. |
| 115 | 216 | InterPro | IPR000297 | Peptidyl-prolyl cis-trans isomerase, PpiC-type |
| 109 | 215 | SUPERFAMILY | SSF54534 | FKBP-like |
| 115 | 240 | Gene3D | G3DSA:3.10.50.40 | - |
| 115 | 240 | InterPro | IPR046357 | Peptidyl-prolyl cis-trans isomerase domain superfamily |
| 6 | 259 | PANTHER | PTHR47245 | PEPTIDYLPROLYL ISOMERASE |
| 19 | 142 | SUPERFAMILY | SSF109998 | Triger factor/SurA peptide-binding domain-like |
| 19 | 142 | InterPro | IPR027304 | Trigger factor/SurA domain superfamily |
| 122 | 214 | Pfam | PF00639 | PPIC-type PPIASE domain |
| 122 | 214 | InterPro | IPR000297 | Peptidyl-prolyl cis-trans isomerase, PpiC-type |
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
PA3871
|
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 |
|---|---|---|---|---|---|---|---|
| 3 | 0.848 | ||||||
| 2 | 0.209 |
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.
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 |
|---|---|---|---|---|---|
| ZINC142395 | 0.700 | 221.3 Da LogP 3.40 TPSA 32.9 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC141246167 | 0.667 | 319.3 Da LogP 3.60 TPSA 98.0 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1
|
| ZINC2384034 | 0.667 | 205.2 Da LogP 1.56 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC11866572 | 0.656 | 372.4 Da LogP 3.25 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cc3ccccc3[nH]…
|
| ZINC32003100 | 0.656 | 237.3 Da LogP 3.53 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(-c3ccccc3)ccc2[nH]1
|
| ZINC3748671 | 0.656 | 237.3 Da LogP 3.53 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(-c3ccccc3)cc2[nH]1
|
| ZINC74002845 | 0.656 | 226.2 Da LogP 2.86 TPSA 68.9 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2cc3ccccc3[nH]2)[nH]1
|
| ZINC384465 | 0.636 | 236.3 Da LogP 3.42 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC12919870 | 0.618 | 214.3 Da LogP 2.40 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCC1
|
| ZINC2582702 | 0.613 | 205.2 Da LogP 1.56 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC2582710 | 0.613 | 240.1 Da LogP 2.63 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(Br)cc2[nH]1
|
| ZINC402742 | 0.613 | 240.1 Da LogP 2.63 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(Br)ccc2[nH]1
|
| ZINC20728176 | 0.611 | 301.3 Da LogP 0.54 TPSA 93.7 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23788096 | 0.611 | 333.4 Da LogP 2.77 TPSA 56.4 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23582 | 0.606 | 211.2 Da LogP 3.02 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2c(ccc3ccccc32)[nH]1
|
| ZINC39341723 | 0.606 | 203.2 Da LogP 2.07 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
CC(=O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC19843563 | 0.600 | 218.2 Da LogP 0.98 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)c1cc2ccccc2[nH]1
|
| ZINC263620956 | 0.600 | 287.3 Da LogP 4.69 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2c(-c3cccc4ccccc34)cccc2[nH]1
|
| ZINC338381 | 0.600 | 250.3 Da LogP 3.44 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
CN(C(=O)c1cc2ccccc2[nH]1)c1ccccc1
|
| ZINC35133185 | 0.600 | 256.3 Da LogP 3.57 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCCCC1
|
| ZINC6344517 | 0.600 | 253.3 Da LogP 3.66 TPSA 62.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
|
| ZINC7911351 | 0.600 | 228.3 Da LogP 2.79 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCC1
|
| ZINC7912494 | 0.600 | 242.3 Da LogP 3.18 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCCCCC1
|
| ZINC2432858 | 0.594 | 287.1 Da LogP 2.47 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2cc(I)ccc2[nH]1
|
| ZINC2443762 | 0.594 | 287.1 Da LogP 2.47 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc(I)cc2[nH]1
|
| ZINC12390058 | 0.583 | 271.3 Da LogP 1.47 TPSA 56.4 | ✓ Ro5 | ✓ Clean |
CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC16636620 | 0.583 | 326.4 Da LogP 4.69 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC509902 | 0.583 | 229.3 Da LogP 1.21 TPSA 48.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCNCC1
|
| ZINC5531695 | 0.583 | 251.3 Da LogP 3.52 TPSA 42.1 | ✓ Ro5 | ✓ Clean |
O=C(OCc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC6649233 | 0.583 | 250.3 Da LogP 3.10 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC2512141 | 0.579 | 305.4 Da LogP 3.13 TPSA 39.3 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1
|
| ZINC3163645 | 0.576 | 211.2 Da LogP 3.02 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc2ccc3ccccc3c2[nH]1
|
| ZINC12946715 | 0.571 | 202.3 Da LogP 2.31 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
CC(C)NC(=O)c1cc2ccccc2[nH]1
|
| ZINC9970537 | 0.571 | 217.3 Da LogP 3.12 TPSA 42.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)c1cc2ccccc2[nH]1
|
| ZINC19843564 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCNC(=O)c1cc2ccccc2[nH]1
|
| ZINC19843565 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O
|
| ZINC19868744 | 0.568 | 243.3 Da LogP 1.56 TPSA 39.3 | ✓ Ro5 | ✓ Clean |
CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
|
| ZINC23549857 | 0.568 | 299.4 Da LogP 2.82 TPSA 67.0 | ✓ Ro5 | ✓ Clean |
O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2[nH]1
|
| ZINC344370 | 0.568 | 230.3 Da LogP 1.64 TPSA 45.3 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCOCC1
|
| ZINC36163408 | 0.568 | 246.3 Da LogP 2.36 TPSA 36.1 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)N1CCSCC1
|
| ZINC9420925 | 0.568 | 232.2 Da LogP 1.37 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O
|
| ZINC14985707 | 0.559 | 203.2 Da LogP 2.07 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC2582700 | 0.559 | 217.3 Da LogP 3.16 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc2[nH]c(C(=O)O)cc2c1
|
| ZINC3748697 | 0.559 | 217.3 Da LogP 3.16 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC13956836 | 0.556 | 204.2 Da LogP 0.89 TPSA 65.1 | ✓ Ro5 | ✓ Clean |
O=C(NCCO)c1cc2ccccc2[nH]1
|
| ZINC14796789 | 0.556 | 200.2 Da LogP 2.06 TPSA 44.9 | ✓ Ro5 | ✓ Clean |
O=C(NC1CC1)c1cc2ccccc2[nH]1
|
| ZINC15779808 | 0.556 | 260.3 Da LogP 3.88 TPSA 48.6 | ✓ Ro5 | ✓ Clean |
O=C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
|
| ZINC261232647 | 0.556 | 219.2 Da LogP 1.65 TPSA 79.4 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc2cc(C(=O)O)[nH]c2c1
|
| ZINC38235439 | 0.556 | 204.2 Da LogP 1.80 TPSA 45.3 | ✓ Ro5 | ✓ Clean |
CON(C)C(=O)c1cc2ccccc2[nH]1
|
| ZINC13681944 | 0.553 | 294.3 Da LogP 2.72 TPSA 82.2 | ✓ Ro5 | ✓ Clean |
O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2ccccc2[nH]1
|
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.