Protein profile
PA1461
flagellar motor protein MotD
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA1461
- Gene
- GNQ48_02285 CAZ10_08275 motD motB_2 PA1461 DT376_21180 L4V69_23500 orf2 IPC1295_04000 GUL26_07365 PAERUG_P19_London_7_VIM_2_05_10_04767
- Status
- annotated
- Amino acids
- 296
- 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
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
3- GO:0120101 A hetero-hexameric complex of 2 membrane proteins, A and B, with stoichiometry A4B2. The A and B proteins form a channel through which flow the ions that power the bacterial-type flagellum. They form the stator, or nonrotating portion, of the flagellum motor with the B protein apparently attached to the peptidoglycan cell wall. Examples include the H+ driven MotA-MotB stator complex of Escherichia coli and Salmonella enterica, and the Na+ driven PomA-PomB stator complex of Vibrio and Shewanella species.
- GO:0071973 Cell motility due to the motion of one or more bacterial-type flagella. A bacterial-type flagellum is a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope.
- GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 134 | 240 | CDD | cd07185 | OmpA_C-like |
| 134 | 240 | InterPro | IPR006665 | OmpA-like domain |
| 39 | 296 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 127 | 240 | SUPERFAMILY | SSF103088 | OmpA-like |
| 127 | 240 | InterPro | IPR036737 | OmpA-like domain superfamily |
| 4 | 57 | Pfam | PF13677 | Membrane MotB of proton-channel complex MotA/MotB |
| 4 | 57 | InterPro | IPR025713 | Motility protein B-like, N-terminal domain |
| 124 | 244 | ProSiteProfiles | PS51123 | OmpA-like domain profile. |
| 124 | 244 | InterPro | IPR006665 | OmpA-like domain |
| 1 | 20 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 145 | 234 | Pfam | PF00691 | OmpA family |
| 145 | 234 | InterPro | IPR006665 | OmpA-like domain |
| 17 | 39 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 66 | 85 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 2 | 242 | PANTHER | PTHR30329 | STATOR ELEMENT OF FLAGELLAR MOTOR COMPLEX |
| 21 | 38 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 251 | 296 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 77 | 255 | Gene3D | G3DSA:3.30.1330.60 | - |
| 77 | 255 | InterPro | IPR036737 | OmpA-like domain superfamily |
| 64 | 97 | MobiDBLite | mobidb-lite | consensus disorder prediction |
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 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA1461
|
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 |
|---|---|---|---|---|---|---|---|
| 4 | 0.527 | ||||||
| 3 | 0.459 | ||||||
| 1 | 0.223 |
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 |
|---|---|---|---|---|---|---|
| 5GP | Q9I4L6 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
|
|
| 7QA | P13794 | 305.3 Da LogP -1.21 TPSA 179.0 | 1 viol. | ✓ Clean |
C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(…
|
|
| API | Q6RYW5 | 190.2 Da LogP -1.02 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
|
|
| C8E | P13794 | 306.4 Da LogP 2.41 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCO
|
|
| SRT | Q6RYW5 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@H](C(=O)O)O)(C(=O)O)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).
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
|
| ZINC12501413 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC12958448 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| 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
|
| ZINC1532555 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC16051619 | 1.000 | 350.5 Da LogP 2.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCOCCOCCOCCO
|
| ZINC16546189 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC2159505 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC2584424 | 1.000 | 218.3 Da LogP 2.37 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCOCCOCCO
|
| ZINC3073318 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869963 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869965 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…
|
| 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
|
| ZINC9334496 | 1.000 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| 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
|
| ZINC104869865 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O…
|
| ZINC12504289 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC34541308 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC35000839 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC45284491 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC80639694 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC8215481 | 0.857 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC1644613 | 0.810 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC33979258 | 0.800 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC33979259 | 0.800 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC78920152 | 0.800 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC95831576 | 0.773 | 230.4 Da LogP 3.92 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCOCCCCO
|
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.