Overview
Basic information about this protein and its source genome.
- Accession
- PA5372
- Gene
- PA5372 betA
- Status
- annotated
- Amino acids
- 561
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 49.724
- Human E-value
- 4.8e-174
- 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)
6- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0008802 Catalysis of the reaction: betaine aldehyde + NAD+ + H2O = betaine + NADH + H+.
- GO:0008812 Catalysis of the reaction: A + choline = AH(2) + betaine aldehyde.
- GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2.
- GO:0019285 The chemical reactions and pathways resulting in the formation of betaine (N-trimethylglycine) from the oxidation of choline.
- GO:0016614 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group act as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 297 | 479 | SUPERFAMILY | SSF54373 | FAD-linked reductases, C-terminal domain |
| 1 | 540 | PIRSF | PIRSF000137 | Alcohol_oxidase |
| 1 | 540 | InterPro | IPR012132 | Glucose-methanol-choline oxidoreductase |
| 5 | 302 | Pfam | PF00732 | GMC oxidoreductase |
| 5 | 302 | InterPro | IPR000172 | Glucose-methanol-choline oxidoreductase, N-terminal |
| 6 | 527 | Gene3D | G3DSA:3.50.50.60 | - |
| 6 | 527 | InterPro | IPR036188 | FAD/NAD(P)-binding domain superfamily |
| 4 | 541 | PANTHER | PTHR11552 | GLUCOSE-METHANOL-CHOLINE GMC OXIDOREDUCTASE |
| 4 | 541 | InterPro | IPR012132 | Glucose-methanol-choline oxidoreductase |
| 45 | 474 | Gene3D | G3DSA:3.30.560.10 | Glucose Oxidase, domain 3 |
| 1 | 537 | SUPERFAMILY | SSF51905 | FAD/NAD(P)-binding domain |
| 1 | 537 | InterPro | IPR036188 | FAD/NAD(P)-binding domain superfamily |
| 3 | 556 | Hamap | MF_00750 | Oxygen-dependent choline dehydrogenase [betA]. |
| 3 | 556 | InterPro | IPR011533 | Oxygen-dependent choline dehydrogenase |
| 84 | 107 | ProSitePatterns | PS00623 | GMC oxidoreductases signature 1. |
| 84 | 107 | InterPro | IPR000172 | Glucose-methanol-choline oxidoreductase, N-terminal |
| 261 | 275 | ProSitePatterns | PS00624 | GMC oxidoreductases signature 2. |
| 261 | 275 | InterPro | IPR000172 | Glucose-methanol-choline oxidoreductase, N-terminal |
| 395 | 529 | Pfam | PF05199 | GMC oxidoreductase |
| 395 | 529 | InterPro | IPR007867 | Glucose-methanol-choline oxidoreductase, C-terminal |
| 6 | 539 | NCBIfam | TIGR01810 | choline dehydrogenase |
| 6 | 539 | InterPro | IPR011533 | Oxygen-dependent choline dehydrogenase |
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
PA5372
|
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.721 |
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 |
|---|---|---|---|---|---|---|
| BET | Q7X2H8 | 118.2 Da LogP -0.22 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C[N+](C)(C)CC(=O)O
|
|
| FAO | Q7X2H8 | 789.6 Da LogP -2.56 TPSA 355.8 | 3 viol. | ✓ Clean |
Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N…
|
|
| FDA | B8MX95 | 787.6 Da LogP -1.75 TPSA 363.3 | 3 viol. | ✓ Clean |
Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C…
|
|
| OXY | P13006 | 32.0 Da LogP 0.07 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=O
|
|
| P4C | P13006 | 324.4 Da LogP -0.72 TPSA 92.7 | ✓ Ro5 | ✓ Clean |
C(COCCOCCOCCOCCOCCOCC=O)O
|
|
| PLM | A0A248QE08 | 256.4 Da LogP 5.55 TPSA 37.3 | 1 viol. | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)O
|
|
| PXM | Q5NT46 | 168.2 Da LogP 0.05 TPSA 79.4 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)CO)CN)O
|
|
| STE | A0A248QE08 | 284.5 Da LogP 6.33 TPSA 37.3 | 1 viol. | ✓ Clean |
CCCCCCCCCCCCCCCCCC(=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 |
|---|---|---|---|---|---|
| ZINC1529498 | 1.000 | 200.3 Da LogP 3.99 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)O
|
| ZINC1530417 | 1.000 | 228.4 Da LogP 4.77 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)O
|
| ZINC1628119 | 1.000 | 214.3 Da LogP 4.38 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)O
|
| ZINC138457918 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCC(=O)O
|
| ZINC138458029 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCC(=O)O
|
| ZINC144395054 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC14619628 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCCCCC(=O)O
|
| ZINC196749828 | 0.850 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCC(=O)O
|
| ZINC2113934076 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC2113934082 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC2113934083 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC2243670 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCC(=O)O
|
| ZINC2569203 | 0.850 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCC(=O)O
|
| ZINC4798470 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCCCC(=O)O
|
| ZINC5973005 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC71418182 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC79244776 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC86037082 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CCCCCC(=O)O
|
| ZINC86037089 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC86039283 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC3160730 | 0.810 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCC(=O)O
|
| ZINC4582907 | 0.810 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCC(=O)O
|
| ZINC4727003 | 0.810 | 312.4 Da LogP 4.69 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O
|
| ZINC86037074 | 0.810 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)CCCC(=O)O
|
| ZINC2378801 | 0.800 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCC(=O)O
|
| ZINC2113934081 | 0.762 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCCCCCC(=O)O
|
| ZINC2243668 | 0.762 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCC(=O)O
|
| ZINC2378799 | 0.762 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCC(=O)O
|
| ZINC33820423 | 0.762 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCCCC(=O)O
|
| ZINC2387442 | 0.739 | 246.4 Da LogP 4.34 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCSCCCCC(=O)O
|
| ZINC31778284 | 0.739 | 310.4 Da LogP 4.47 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)/C=C\C(=O)CCCCCCCC(=O)O
|
| ZINC5540108 | 0.739 | 310.4 Da LogP 4.47 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O
|
| ZINC64633397 | 0.739 | 226.4 Da LogP 4.55 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCC(=O)O
|
| ZINC59545317 | 0.727 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCC(=O)O
|
| ZINC59545320 | 0.727 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)CCC(=O)O
|
| ZINC59545336 | 0.727 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCC(=O)O
|
| ZINC117388074 | 0.708 | 244.4 Da LogP 3.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)CCCCCCCC(=O)O
|
| ZINC117392337 | 0.708 | 230.3 Da LogP 3.35 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CCCCCC(=O)O
|
| ZINC117392339 | 0.708 | 230.3 Da LogP 3.35 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CCCCCC(=O)O
|
| ZINC13508826 | 0.708 | 272.4 Da LogP 4.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CCCCCCCCC(=O)O
|
| ZINC14454563 | 0.708 | 286.5 Da LogP 4.91 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CCCCCCCCCC(=O)O
|
| ZINC14454564 | 0.708 | 286.5 Da LogP 4.91 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CCCCCCCCCC(=O)O
|
| ZINC1600679 | 0.708 | 264.4 Da LogP 2.63 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCS(=O)(=O)CCCCCC(=O)O
|
| ZINC2008597 | 0.708 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CCCCC(=O)O
|
| ZINC2008598 | 0.708 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CCCCC(=O)O
|
| ZINC33820346 | 0.708 | 316.5 Da LogP 4.27 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)[C@@H](O)CCCCCCCCCCC(=O)O
|
| ZINC33822253 | 0.708 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)CCCCCC(=O)O
|
| ZINC33822254 | 0.708 | 216.3 Da LogP 2.96 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC[C@@H](O)CCCCCC(=O)O
|
| ZINC33822296 | 0.708 | 286.5 Da LogP 4.91 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)CCCCCCCCCCC(=O)O
|
| ZINC59724711 | 0.708 | 244.4 Da LogP 3.74 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCC[C@H](O)CCCCCC(=O)O
|
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.