Overview
Basic information about this protein and its source genome.
- Accession
- KP13_03308
- Gene
- oprD AHE45687.1
- Status
- annotated
- Amino acids
- 467
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- OuterMembrane
- ColabFold pLDDT
- 93.74
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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)
7- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.
- GO:0046930 A protein complex providing a discrete opening in a membrane that allows the passage of gases and/or liquids.
- GO:0015288 Enables the transfer of substances, sized less than 1000 Da, from one side of a membrane to the other. The transmembrane portions of porins consist exclusively of beta-strands which form a beta-barrel. They are found in the outer membranes of Gram-negative bacteria, mitochondria, plastids and possibly acid-fast Gram-positive bacteria.
- GO:0006811 The directed movement of a monoatomic ion into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Monatomic ions (also called simple ions) are ions consisting of exactly one atom.
- GO:0015772 The directed movement of oligosaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Oligosaccharides are molecules with between two and (about) 20 monosaccharide residues connected by glycosidic linkages.
- GO:0015774 The directed movement of polysaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. A polysaccharide is a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 8 | 467 | FunFam | G3DSA:2.40.160.10:FF:000007 | Outer membrane protein |
| 1 | 32 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 1 | 32 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 10 | 20 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 5 | 467 | Gene3D | G3DSA:2.40.160.10 | Porin |
| 5 | 467 | InterPro | IPR023614 | Porin domain superfamily |
| 1 | 467 | PANTHER | PTHR34596 | CHITOPORIN |
| 1 | 467 | InterPro | IPR005318 | Outer membrane porin, bacterial |
| 33 | 467 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 21 | 32 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 9 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 32 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 33 | 431 | Pfam | PF03573 | outer membrane porin, OprD family |
| 33 | 431 | InterPro | IPR005318 | Outer membrane porin, bacterial |
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 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GU17
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_03308
|
ColabFold | — | — | full sequence | — | Loaded |
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 |
|---|---|---|---|---|---|---|---|
| 35 | 0.96 |
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 | 29.13 | 0.929 | ||||||
| 2 | 6.34 | 0.319 | ||||||
| 3 | 2.47 | 0.068 | ||||||
| 4 | 1.57 | 0.024 | ||||||
| 5 | 1.22 | 0.011 |
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 |
|---|---|---|---|---|---|---|---|
| 17 | 0.819 | ||||||
| 6 | 0.578 | ||||||
| 12 | 0.567 | ||||||
| 13 | 0.331 |
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 | 7.82 | 0.415 | ||||||
| 2 | 5.22 | 0.243 | ||||||
| 3 | 4.25 | 0.175 | ||||||
| 4 | 3.39 | 0.121 | ||||||
| 5 | 2.51 | 0.07 |
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| C8E | P32722 | 306.4 Da LogP 2.41 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCO
|
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 |
|---|---|---|---|---|---|
| ZINC100014200 | 1.000 | 494.7 Da LogP 4.02 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC100070166 | 1.000 | 290.4 Da LogP 3.17 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCO
|
| ZINC100310628 | 1.000 | 478.7 Da LogP 4.78 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC100365196 | 1.000 | 302.5 Da LogP 4.71 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCO
|
| ZINC101772322 | 1.000 | 434.7 Da LogP 4.76 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC103600921 | 1.000 | 466.7 Da LogP 3.24 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC14880431 | 1.000 | 378.6 Da LogP 3.20 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC14881140 | 1.000 | 306.4 Da LogP 2.41 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCO
|
| ZINC16051619 | 1.000 | 350.5 Da LogP 2.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC2584424 | 1.000 | 218.3 Da LogP 2.37 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCO
|
| ZINC4521877 | 1.000 | 234.3 Da LogP 1.61 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCOCCOCCOCCO
|
| ZINC5273610 | 1.000 | 322.4 Da LogP 1.64 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCOCCOCCOCCOCCOCCO
|
| ZINC58538366 | 1.000 | 392.6 Da LogP 3.59 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC58631420 | 1.000 | 422.6 Da LogP 3.22 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC59441819 | 1.000 | 318.5 Da LogP 3.95 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCO
|
| ZINC59622400 | 1.000 | 274.4 Da LogP 3.93 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCO
|
| ZINC71788551 | 1.000 | 334.5 Da LogP 3.19 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC71788564 | 1.000 | 262.4 Da LogP 2.39 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCO
|
| ZINC71788567 | 1.000 | 406.6 Da LogP 3.98 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC8214594 | 1.000 | 362.6 Da LogP 3.97 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC88260008 | 1.000 | 390.6 Da LogP 4.75 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCO
|
| ZINC95784968 | 1.000 | 450.7 Da LogP 4.00 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC95863931 | 1.000 | 464.7 Da LogP 4.39 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1849711 | 0.950 | 202.3 Da LogP 3.14 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCO
|
| ZINC1850542 | 0.950 | 216.4 Da LogP 3.53 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCOCCO
|
| ZINC2555269 | 0.950 | 220.3 Da LogP 1.22 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCCOCCOCCOCCO
|
| ZINC59660505 | 0.950 | 244.4 Da LogP 4.31 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCOCCO
|
| ZINC8437287 | 0.950 | 230.4 Da LogP 3.92 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCO
|
| ZINC85733754 | 0.950 | 258.4 Da LogP 4.70 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCO
|
| ZINC1644613 | 0.810 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC59545536 | 0.773 | 258.4 Da LogP 4.70 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCOCCCO
|
| ZINC95831576 | 0.773 | 230.4 Da LogP 3.92 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCCCO
|
| ZINC1627284 | 0.700 | 214.4 Da LogP 4.94 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCOCCCCCCC
|
| ZINC2564179 | 0.700 | 214.4 Da LogP 4.94 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCCCCC
|
| ZINC100302699 | 0.600 | 332.5 Da LogP 3.48 TPSA 65.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OCCOCCOCCO
|
| ZINC101013974 | 0.600 | 273.5 Da LogP 3.90 TPSA 44.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCN
|
| ZINC101367966 | 0.600 | 232.3 Da LogP 1.90 TPSA 55.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OCCOCCO
|
| ZINC44583812 | 0.600 | 380.6 Da LogP 3.49 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCCCCCCCCCCS
|
| ZINC44583816 | 0.600 | 468.7 Da LogP 3.52 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCS
|
| ZINC6620298 | 0.600 | 336.5 Da LogP 3.47 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCCCCCCCCCCS
|
| ZINC86039630 | 0.600 | 288.4 Da LogP 3.46 TPSA 55.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OCCOCCO
|
| ZINC100684628 | 0.586 | 330.6 Da LogP 4.77 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[N+](C)(C)CCOCCO
|
| ZINC4978403 | 0.583 | 248.4 Da LogP 2.00 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCCOCCCOCCCO
|
| ZINC100090646 | 0.571 | 448.6 Da LogP 4.86 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O
|
| ZINC100645716 | 0.571 | 273.5 Da LogP 4.60 TPSA 35.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCC(N)=S
|
| ZINC100970335 | 0.571 | 331.5 Da LogP 3.44 TPSA 70.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCCOCCOCC(N)=O
|
| ZINC2041048 | 0.571 | 218.3 Da LogP 2.64 TPSA 27.7 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCCC
|
| ZINC1697133 | 0.565 | 214.4 Da LogP 4.94 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCC
|
| ZINC5650743 | 0.565 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.565 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
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.