Protein profile
KP13_03784
Lipopolysaccharide O-antigen ABC transport system transmembrane component
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_03784
- Gene
- rfbA AHE43681.1
- Status
- annotated
- Amino acids
- 259
- 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
- CytoplasmicMembrane
- ColabFold pLDDT
- 92.09
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)
4- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0140359 Primary active transporter characterized by two nucleotide-binding domains and two transmembrane domains. Uses the energy generated from ATP hydrolysis to drive the transport of a substance across a membrane.
- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- GO:0015920 The directed movement of lipopolysaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. A lipopolysaccharide is any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. Lipopolysaccharides consist three covalently linked regions, lipid A, core oligosaccharide, and an O side chain. Lipid A is responsible for the toxicity of the lipopolysaccharide.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 31 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 14 | 259 | PANTHER | PTHR30413 | INNER MEMBRANE TRANSPORT PERMEASE |
| 96 | 115 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 249 | 259 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 169 | 174 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 73 | 95 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 229 | 248 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 229 | 248 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 175 | 192 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 16 | 217 | Pfam | PF01061 | ABC-2 type transporter |
| 16 | 217 | InterPro | IPR013525 | ABC-2 type transporter, transmembrane domain |
| 140 | 162 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 33 | 251 | ProSiteProfiles | PS51012 | ABC transporter integral membrane type-2 domain profile. |
| 33 | 251 | InterPro | IPR047817 | ABC-2 type transporter, transmembrane domain, bacterial-type |
| 140 | 168 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 116 | 134 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 31 | 53 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 116 | 135 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 135 | 139 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 73 | 95 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 175 | 192 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 193 | 228 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 32 | 53 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 54 | 72 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
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_A0A0H3GSI2
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_03784
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.846 | ||||||
| 4 | 0.607 | ||||||
| 3 | 0.43 | ||||||
| 13 | 0.357 |
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 | 8.43 | 0.45 | ||||||
| 2 | 5.29 | 0.248 | ||||||
| 3 | 4.37 | 0.183 | ||||||
| 4 | 2.56 | 0.073 | ||||||
| 5 | 2.24 | 0.055 |
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.933 | ||||||
| 3 | 0.785 |
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 | 9.77 | 0.525 | ||||||
| 2 | 5.39 | 0.256 | ||||||
| 3 | 2.54 | 0.071 | ||||||
| 4 | 2.47 | 0.068 | ||||||
| 5 | 2.43 | 0.066 |
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 |
|---|---|---|---|---|---|
| ZINC1849937 | 1.000 | 201.4 Da LogP 3.70 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2008702 | 1.000 | 243.4 Da LogP 4.87 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2039372 | 1.000 | 229.4 Da LogP 4.48 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2516963 | 1.000 | 215.4 Da LogP 4.09 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC5859031 | 1.000 | 294.4 Da LogP 1.13 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCC
|
| ZINC4974293 | 0.786 | 280.4 Da LogP 1.08 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCOCCOCCOCC
|
| ZINC5650743 | 0.688 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.688 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16688007 | 0.647 | 446.8 Da LogP 4.03 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCOCCOCCSCCSCCSCCSCCOCCOCC
|
| ZINC1673414 | 0.600 | 228.4 Da LogP 4.61 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)C
|
| ZINC1700269 | 0.600 | 200.4 Da LogP 3.83 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)C
|
| ZINC2173592 | 0.600 | 216.4 Da LogP 3.79 TPSA 18.5 | ✓ Ro5 | ✓ Clean |
CCOCCCCCCCCCOCC
|
| ZINC28278447 | 0.600 | 230.4 Da LogP 4.18 TPSA 18.5 | ✓ Ro5 | ✓ Clean |
CCOCCCCCCCCCCOCC
|
| ZINC39185814 | 0.579 | 202.2 Da LogP 1.58 TPSA 27.7 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOC(F)(F)F
|
| ZINC4787572 | 0.579 | 248.3 Da LogP 1.23 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
C=COCCOCCOCCOCCOCC
|
| ZINC100991279 | 0.548 | 314.5 Da LogP 4.38 TPSA 52.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)[O-]
|
| ZINC1670600 | 0.545 | 201.4 Da LogP 3.08 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)N
|
| ZINC59314569 | 0.545 | 229.4 Da LogP 3.86 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)N
|
| ZINC3780929 | 0.529 | 382.5 Da LogP 4.10 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCOCCP(CCOCC)CCP(CCOCC)CCOCC
|
| ZINC5462640 | 0.529 | 358.7 Da LogP 3.99 TPSA 18.5 | ✓ Ro5 | ✓ Clean |
CCOCCSCCSCCSCCSCCOCC
|
| ZINC1866975 | 0.526 | 206.2 Da LogP 1.21 TPSA 54.0 | ✓ Ro5 | ✓ Clean |
CCOCCOC(=O)OCCOCC
|
| ZINC116265921 | 0.524 | 206.2 Da LogP 1.21 TPSA 54.0 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOC(=O)OCC
|
| ZINC196806630 | 0.524 | 203.2 Da LogP 1.37 TPSA 76.5 | ✓ Ro5 | Alert |
CCOCCOCCOCCN=[N+]=[N-]
|
| ZINC163821152 | 0.516 | 272.4 Da LogP 3.21 TPSA 52.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
|
| ZINC53683257 | 0.516 | 300.5 Da LogP 3.99 TPSA 52.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
|
| ZINC112977758 | 0.500 | 244.5 Da LogP 3.13 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCC[N+](C)(C)CCC[N+](C)(C)C
|
| ZINC1613645 | 0.500 | 254.3 Da LogP 2.52 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCOCCOc1ccc(OCCOCC)cc1
|
| ZINC1697133 | 0.500 | 214.4 Da LogP 4.94 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCOCC
|
| ZINC2041048 | 0.500 | 218.3 Da LogP 2.64 TPSA 27.7 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCCC
|
| ZINC2900787 | 0.500 | 228.4 Da LogP 4.61 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[N+](CC)(CC)CC
|
| ZINC4995542 | 0.500 | 366.4 Da LogP 0.20 TPSA 98.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOC(=O)COCC(=O)OCCOCCOCC
|
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.