Overview
Basic information about this protein and its source genome.
- Accession
- PA1882
- Gene
- PA1882
- Status
- annotated
- Amino acids
- 107
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- CytoplasmicMembrane
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
5- 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:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
- GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
- GO:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 80 | 84 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 18 | 26 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 105 | PANTHER | PTHR30561 | SMR FAMILY PROTON-DEPENDENT DRUG EFFLUX TRANSPORTER SUGE |
| 1 | 105 | InterPro | IPR000390 | Small drug/metabolite transporter protein family |
| 55 | 77 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 17 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 48 | 58 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 85 | 103 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 106 | Gene3D | G3DSA:1.10.3730.20 | - |
| 1 | 17 | SignalP_EUK | SignalP-TM | SignalP-TM |
| 13 | 17 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 29 | 48 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 93 | Pfam | PF00893 | Small Multidrug Resistance protein |
| 1 | 93 | InterPro | IPR045324 | Small multidrug resistance protein |
| 2 | 19 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 59 | 79 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 104 | 107 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 27 | 47 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 4 | 104 | SUPERFAMILY | SSF103481 | Multidrug resistance efflux transporter EmrE |
| 2 | 12 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 1 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 106 | FunFam | G3DSA:1.10.3730.20:FF:000001 | Quaternary ammonium compound resistance transporter SugE |
| 87 | 104 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
No pockets are loaded yet for the displayed AlphaFold model PA1882 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.
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
PA1882
|
AlphaFold | — | — | full sequence | — | Viewing |
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.
No PDB ligands found through similar proteins.
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 |
|---|---|---|---|---|---|---|
| CHEMBL891 | Q3S5C3 | 8.40 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| CHEMBL158 | Q3S5C3 | 8.22 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…
|
| CHEMBL333078 | Q3S5C3 | 6.52 | 270.3 Da LogP -0.74 TPSA 115.5 | ✓ Ro5 | ✓ Clean |
C[C@]1(/C=C\C#N)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=…
|
| CHEMBL224214 | Q2FD83 | — | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
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 |
|---|---|---|---|---|---|
| ZINC15848211 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…
|
| ZINC161387 | 1.000 | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
| ZINC16958002 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC17214369 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc…
|
| ZINC21986197 | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1…
|
| ZINC252430978 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n…
|
| ZINC256010240 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…
|
| ZINC256010241 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N…
|
| ZINC256010242 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…
|
| ZINC3830263 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC3830264 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…
|
| ZINC3830266 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…
|
| ZINC3830593 | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| ZINC3830594 | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1S…
|
| ZINC3830595 | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1…
|
| ZINC3875417 | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| ZINC4676362 | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc…
|
| ZINC1530612 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@…
|
| ZINC2015281 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3830690 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3830691 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@…
|
| ZINC3830692 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3978006 | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC1532344 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@…
|
| ZINC3830843 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC3830844 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H…
|
| ZINC3830845 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC4102187 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC9230633 | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC3831241 | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1S…
|
| ZINC3831242 | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(…
|
| ZINC3831243 | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC…
|
| ZINC3875439 | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C…
|
| ZINC9212279 | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC…
|
| ZINC148820510 | 0.781 | 453.4 Da LogP -1.22 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
CC(C)(O/N=C(/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@…
|
| ZINC12503091 | 0.703 | 435.4 Da LogP -0.33 TPSA 205.1 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](/N=C(O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC110918 | 0.688 | 239.1 Da LogP 2.81 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cc(Cl)cc(Cl)c1
|
| ZINC1554503643 | 0.676 | 260.6 Da LogP 1.29 TPSA 106.1 | ✓ Ro5 | Alert |
N#CC(=O)C(=NNc1cccc(Cl)c1)C(=O)C#N
|
| ZINC4194526 | 0.657 | 249.1 Da LogP 2.26 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Br)c1
|
| ZINC5427363 | 0.647 | 239.1 Da LogP 2.81 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1ccc(Cl)c(Cl)c1
|
| ZINC1560410105 | 0.636 | 433.4 Da LogP -0.70 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
CC1=C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)…
|
| ZINC204907801 | 0.629 | 425.5 Da LogP 0.61 TPSA 147.2 | ✓ Ro5 | ✓ Clean |
CC1=CN2C(=O)[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c…
|
| ZINC613829019 | 0.629 | 425.5 Da LogP 0.61 TPSA 147.2 | ✓ Ro5 | ✓ Clean |
CC1=CN2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c3c…
|
| ZINC495173 | 0.605 | 238.2 Da LogP 2.52 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(C(F)(F)F)c1
|
| ZINC2086 | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
|
| ZINC2548423 | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O
|
| ZINC336994 | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O
|
| ZINC897244 | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
|
| ZINC13111736 | 0.595 | 283.7 Da LogP 3.51 TPSA 65.2 | ✓ Ro5 | Alert |
N#C/C(=N\Nc1cccc(Cl)c1)C(=O)c1ccccc1
|
| ZINC353283 | 0.595 | 318.2 Da LogP 4.17 TPSA 65.2 | ✓ Ro5 | Alert |
N#C/C(=N/Nc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1
|
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.