Amino acids
647
Annotations
7
Features
26
PDB binders
6
Druggability
0.596
Overview
Basic information about this protein and its source genome.
- Accession
- PA0328
- Gene
- PA0328
- Status
- annotated
- Amino acids
- 647
- Structure source
- AlphaFold
GO
GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.
GO:0004177 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain.
GO:0015474 Transports a passenger protein from the periplasm to the external milieu; the passenger protein and the porin are the N- and C-terminal regions of the same protein, respectively.
GO:0046872 Binding to a metal ion.
GO:0008235 Catalysis of the hydrolysis of a peptide bond not more than three residues from the N- or C-terminus of 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:0048870 Any process involved in the controlled self-propelled movement of a cell that results in translocation of the cell from one place to another.
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- OuterMembrane
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
0.596
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
7 GO
Gene Ontology (GO)
7- GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.
- GO:0004177 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain.
- GO:0015474 Transports a passenger protein from the periplasm to the external milieu; the passenger protein and the porin are the N- and C-terminal regions of the same protein, respectively.
- GO:0046872 Binding to a metal ion.
- GO:0008235 Catalysis of the hydrolysis of a peptide bond not more than three residues from the N- or C-terminus of 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:0048870 Any process involved in the controlled self-propelled movement of a cell that results in translocation of the cell from one place to another.
- GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
Sequence Features
Domain/signature hits from InterPro and related databases.
26 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 22 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 23 | 647 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 331 | 647 | Gene3D | G3DSA:2.40.128.130 | - |
| 331 | 647 | InterPro | IPR036709 | Autotransporter beta-domain superfamily |
| 337 | 647 | SUPERFAMILY | SSF103515 | Autotransporter |
| 337 | 647 | InterPro | IPR036709 | Autotransporter beta-domain superfamily |
| 38 | 286 | SUPERFAMILY | SSF53187 | Zn-dependent exopeptidases |
| 5 | 16 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 366 | 636 | SMART | SM00869 | Autotransporter_2 |
| 366 | 636 | InterPro | IPR005546 | Autotransporter beta-domain |
| 1 | 22 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 31 | 293 | Gene3D | G3DSA:3.40.630.10 | Zn peptidases |
| 26 | 321 | FunFam | G3DSA:3.40.630.10:FF:000038 | Alkaline phosphatase isozyme conversion |
| 82 | 286 | Pfam | PF04389 | Peptidase family M28 |
| 82 | 286 | InterPro | IPR007484 | Peptidase M28 |
| 479 | 647 | NCBIfam | TIGR01414 | outer membrane autotransporter barrel domain |
| 479 | 647 | InterPro | IPR006315 | Outer membrane autotransporter barrel domain |
| 344 | 647 | ProSiteProfiles | PS51208 | Autotransporter beta-domain profile. |
| 344 | 647 | InterPro | IPR005546 | Autotransporter beta-domain |
| 17 | 22 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 4 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 380 | 626 | Pfam | PF03797 | Autotransporter beta-domain |
| 380 | 626 | InterPro | IPR005546 | Autotransporter beta-domain |
| 330 | 350 | Coils | Coil | Coil |
| 70 | 276 | PANTHER | PTHR12147 | METALLOPEPTIDASE M28 FAMILY MEMBER |
| 70 | 276 | InterPro | IPR045175 | Peptidase M28 family |
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
PA0328
|
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 |
|---|---|---|---|---|---|---|---|
| 10 | 0.596 | ||||||
| 8 | 0.59 | ||||||
| 4 | 0.26 | ||||||
| 3 | 0.242 |
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.
56 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 |
|---|---|---|---|---|---|---|
| BES | A2V759 | 308.4 Da LogP 0.53 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc…
|
|
| DPN | P80561 | 165.2 Da LogP 0.64 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C[C@H](C(=O)O)N
|
|
| DTR | P80561 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N
|
|
| IOY | P80561 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1C[C@H](C(=O)O)N)I
|
|
| MED | P80561 | 149.2 Da LogP 0.15 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](C(=O)O)N
|
|
| PHI | P80561 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1C[C@@H](C(=O)O)N)I
|
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 |
|---|---|---|---|---|---|
| ZINC11592554 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)…
|
| ZINC11592555 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C…
|
| ZINC11592556 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C(…
|
| ZINC1532730 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C…
|
| ZINC1542895 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(…
|
| ZINC1558987 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(…
|
| ZINC2545165 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(=…
|
| ZINC3679925 | 1.000 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(I)cc1)C(=O)O
|
| ZINC391104 | 1.000 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(I)cc1)C(=O)O
|
| ZINC7996813 | 1.000 | 308.4 Da LogP 0.53 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C…
|
| ZINC83315 | 1.000 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC83317 | 1.000 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| 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
|
| ZINC1834294 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834295 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834297 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| 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
|
| ZINC2390944 | 0.756 | 278.4 Da LogP 1.17 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
|
| ZINC6049599 | 0.756 | 278.4 Da LogP 1.17 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)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
|
| ZINC1637998 | 0.732 | 261.3 Da LogP 0.24 TPSA 108.2 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
|
| ZINC2384992 | 0.732 | 261.3 Da LogP 0.24 TPSA 108.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
|
| ZINC264238 | 0.732 | 293.4 Da LogP 2.35 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
|
| ZINC264242 | 0.732 | 293.4 Da LogP 2.35 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
|
| ZINC39351856 | 0.731 | 328.4 Da LogP 1.26 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C…
|
| ZINC2047502 | 0.724 | 290.1 Da LogP 0.65 TPSA 69.1 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@@H](N)Cc1ccc(I)cc1
|
| ZINC2561081 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC2561082 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC83849678 | 0.724 | 290.1 Da LogP 0.65 TPSA 69.1 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@H](N)Cc1ccc(I)cc1
|
| ZINC27644022 | 0.721 | 294.4 Da LogP 0.29 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
CCC[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(=O)O
|
| ZINC34781219 | 0.718 | 218.3 Da LogP 1.21 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC34781220 | 0.718 | 218.3 Da LogP 1.21 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| 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
|
| ZINC193616 | 0.707 | 279.3 Da LogP 2.68 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
|
| ZINC2497690 | 0.707 | 279.3 Da LogP 2.68 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
|
| 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
|
| ZINC874230 | 0.707 | 231.3 Da LogP 1.17 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC874233 | 0.707 | 231.3 Da LogP 1.17 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| 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
|
| ZINC113539705 | 0.700 | 265.3 Da LogP 2.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O
|
| ZINC34307123 | 0.700 | 217.3 Da LogP 0.78 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC34482181 | 0.700 | 217.3 Da LogP 0.78 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@H](N)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
|
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.