Amino acids
681
Annotations
8
Features
17
PDB binders
2
Druggability
0.766
Overview
Basic information about this protein and its source genome.
- Accession
- PA0067
- Gene
- PA0067 prlC
- Status
- annotated
- Amino acids
- 681
- Structure source
- AlphaFold
EC
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0046872 Binding to a metal ion.
GO:0004222 Catalysis of the hydrolysis of internal, alpha-peptide bonds in a polypeptide chain by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
GO:0006518 The chemical reactions and pathways involving peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another.
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
GO:0008237 Catalysis of the hydrolysis of peptide bonds by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 44.311
- Human E-value
- 1.61e-36
- 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.
FPocket
0.766
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
7 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
7- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0046872 Binding to a metal ion.
- GO:0004222 Catalysis of the hydrolysis of internal, alpha-peptide bonds in a polypeptide chain by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
- GO:0006518 The chemical reactions and pathways involving peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another.
- GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
- GO:0008237 Catalysis of the hydrolysis of peptide bonds by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
- GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
Sequence Features
Domain/signature hits from InterPro and related databases.
17 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 675 | SUPERFAMILY | SSF55486 | Metalloproteases ("zincins"), catalytic domain |
| 359 | 508 | Gene3D | G3DSA:3.40.390.10 | Collagenase (Catalytic Domain) |
| 359 | 508 | InterPro | IPR024079 | Metallopeptidase, catalytic domain superfamily |
| 152 | 671 | Gene3D | G3DSA:1.10.1370.10 | Neurolysin, domain 3 |
| 152 | 671 | InterPro | IPR024077 | Neurolysin/Thimet oligopeptidase, domain 2 |
| 359 | 508 | FunFam | G3DSA:3.40.390.10:FF:000009 | Oligopeptidase A |
| 21 | 676 | CDD | cd06456 | M3A_DCP |
| 21 | 676 | InterPro | IPR034005 | Peptidyl-dipeptidase DCP |
| 28 | 150 | Pfam | PF19310 | Neurolysin/Thimet oligopeptidase, N-terminal domain |
| 28 | 150 | InterPro | IPR045666 | Oligopeptidase A, N-terminal domain |
| 14 | 139 | FunFam | G3DSA:1.20.1050.40:FF:000002 | Oligopeptidase A |
| 14 | 140 | Gene3D | G3DSA:1.20.1050.40 | Endopeptidase. Chain P; domain 1 |
| 14 | 140 | InterPro | IPR024080 | Neurolysin/Thimet oligopeptidase, N-terminal |
| 2 | 677 | PANTHER | PTHR43660 | DIPEPTIDYL CARBOXYPEPTIDASE |
| 2 | 677 | InterPro | IPR045090 | Peptidase M3A/M3B |
| 224 | 675 | Pfam | PF01432 | Peptidase family M3 |
| 224 | 675 | InterPro | IPR001567 | Peptidase M3A/M3B catalytic domain |
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...
Legend
High
Medium
Low
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
PA0067
|
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 | 0.766 |
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.
57 records
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 |
|---|---|---|---|---|---|---|
| 0W2 | P42676 | 525.1 Da LogP 5.69 TPSA 64.7 | 2 viol. | ✓ Clean |
C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)…
|
|
| K26 | A0A1L1QK30 | 535.5 Da LogP 1.54 TPSA 185.3 | 2 viol. | ✓ Clean |
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| DWT | Q9BYT8 | 6.97 | 503.5 Da LogP 5.75 TPSA 97.6 | 2 viol. | ✓ Clean |
Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…
|
| CHEMBL5070123 | P42676 | 6.00 | 297.4 Da LogP 1.12 TPSA 99.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]cn1)C(=O)NCCc1cc2ccccc2[nH]1
|
| CHEMBL5079973 | P52888 | — | 297.4 Da LogP 1.12 TPSA 99.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1cc2ccccc2[nH]1
|
| CHEMBL5092803 | P42676 | — | 294.4 Da LogP 1.75 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccc2ccccc12
|
| CHEMBL5284556 | P42676 | — | 295.3 Da LogP 1.14 TPSA 96.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccc2cccnc12
|
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 |
|---|---|---|---|---|---|
| ZINC4899521 | 0.778 | 203.2 Da LogP 0.52 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC57505 | 0.778 | 203.2 Da LogP 0.52 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC2566035 | 0.757 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCc1c[nH]c2ccccc12)C(=O)O
|
| ZINC6864822 | 0.757 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](CCc1c[nH]c2ccccc12)C(=O)O
|
| ZINC1690614 | 0.743 | 233.2 Da LogP 1.50 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC14982898 | 0.711 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2c(O)cccc12)C(=O)O
|
| ZINC14982901 | 0.711 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2c(O)cccc12)C(=O)O
|
| ZINC35051054 | 0.707 | 294.4 Da LogP 2.78 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
|
| ZINC35051056 | 0.707 | 294.4 Da LogP 2.78 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
|
| ZINC39098 | 0.703 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12
|
| ZINC39099 | 0.703 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](O)Cc1c[nH]c2ccccc12
|
| ZINC83138991 | 0.703 | 268.1 Da LogP 2.56 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](Br)Cc1c[nH]c2ccccc12
|
| ZINC52968847 | 0.700 | 232.3 Da LogP 1.60 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC53943847 | 0.700 | 232.3 Da LogP 1.60 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC32189073 | 0.692 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2cccc(O)c12)C(=O)O
|
| ZINC4240327 | 0.692 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12
|
| ZINC44544883 | 0.692 | 218.3 Da LogP 1.37 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
NC[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC44544886 | 0.692 | 218.3 Da LogP 1.37 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
NC[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC4521117 | 0.692 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](CC(=O)O)Cc1c[nH]c2ccccc12
|
| ZINC5843989 | 0.692 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2cccc(O)c12)C(=O)O
|
| ZINC178385 | 0.684 | 203.2 Da LogP 2.43 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC178387 | 0.684 | 203.2 Da LogP 2.43 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
C[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC2539067 | 0.682 | 333.4 Da LogP 3.19 TPSA 94.9 | ✓ Ro5 | Alert |
N[C@@H](Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12)C(…
|
| ZINC114287530 | 0.675 | 330.1 Da LogP 1.73 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccc(I)cc12)C(=O)O
|
| ZINC14512177 | 0.675 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O
|
| ZINC14512180 | 0.675 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O
|
| ZINC1691594 | 0.675 | 219.2 Da LogP 0.70 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
Nc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1
|
| ZINC34279958 | 0.675 | 330.1 Da LogP 1.73 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccc(I)cc12)C(=O)O
|
| ZINC57131 | 0.675 | 283.1 Da LogP 1.88 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O
|
| ZINC57132 | 0.675 | 283.1 Da LogP 1.88 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O
|
| ZINC6045354 | 0.675 | 219.2 Da LogP 0.70 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
Nc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1
|
| ZINC895330 | 0.675 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
|
| ZINC895459 | 0.675 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
|
| ZINC20269567 | 0.667 | 265.3 Da LogP 3.58 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)c1ccccc1
|
| ZINC20269568 | 0.667 | 265.3 Da LogP 3.58 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](Cc1c[nH]c2ccccc12)c1ccccc1
|
| ZINC34402729 | 0.667 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc2[nH]ccc12)C(=O)O
|
| ZINC34402730 | 0.667 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc2[nH]ccc12)C(=O)O
|
| ZINC34751367 | 0.667 | 260.3 Da LogP 2.38 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC36468154 | 0.667 | 244.3 Da LogP 1.77 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
C=CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC59313451 | 0.667 | 260.3 Da LogP 2.38 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC2516136 | 0.659 | 283.1 Da LogP 1.88 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
|
| ZINC2572392 | 0.659 | 238.7 Da LogP 1.78 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)O
|
| ZINC391256 | 0.659 | 218.3 Da LogP 1.43 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1
|
| ZINC391257 | 0.659 | 218.3 Da LogP 1.43 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1
|
| ZINC391258 | 0.659 | 218.3 Da LogP 1.43 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1
|
| ZINC391781 | 0.659 | 218.3 Da LogP 1.43 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc2c(C[C@@H](N)C(=O)O)c[nH]c2c1
|
| ZINC56393 | 0.659 | 222.2 Da LogP 1.26 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O
|
| ZINC57156 | 0.659 | 222.2 Da LogP 1.26 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O
|
| ZINC57157 | 0.659 | 222.2 Da LogP 1.26 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O
|
| ZINC9915769 | 0.659 | 238.7 Da LogP 1.78 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccc(Cl)cc12)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.