Overview
Basic information about this protein and its source genome.
- Accession
- PA5447
- Gene
- wbpZ PA5447
- Status
- annotated
- Amino acids
- 381
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Cytoplasmic
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)
8- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
- GO:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor).
- GO:0000030 Catalysis of the transfer of a mannosyl group to an acceptor molecule, typically another carbohydrate or a lipid.
- GO:0033296 Binding to the D- or L-enantiomer of rhamnose.
- GO:0071236 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.
- GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria.
- GO:0009243 The chemical reactions and pathways resulting in the formation of the O side chain of a lipopolysaccharide, which determines the antigenic specificity of the organism. It is made up of about 50 repeating units of a branched tetrasaccharide.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 189 | 345 | Pfam | PF00534 | Glycosyl transferases group 1 |
| 189 | 345 | InterPro | IPR001296 | Glycosyl transferase, family 1 |
| 172 | 351 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 13 | 364 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 2 | 356 | CDD | cd03795 | GT4_WfcD-like |
| 15 | 173 | Pfam | PF13439 | Glycosyltransferase Family 4 |
| 15 | 173 | InterPro | IPR028098 | Glycosyltransferase subfamily 4-like, N-terminal domain |
| 1 | 368 | SUPERFAMILY | SSF53756 | UDP-Glycosyltransferase/glycogen phosphorylase |
| 77 | 375 | PANTHER | PTHR12526 | GLYCOSYLTRANSFERASE |
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
PA5447
|
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 | 0.913 | ||||||
| 2 | 0.571 | ||||||
| 3 | 0.473 |
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).
| Ligand | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| GDR | — | 589.3 Da LogP -3.60 TPSA 311.5 | 3 viol. | ✓ Clean |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)…
|
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 |
|---|---|---|---|---|---|
| ZINC104869865 | 0.750 | 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 | 0.750 | 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 | 0.750 | 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 | 0.750 | 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 | 0.750 | 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 | 0.750 | 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 | 0.750 | 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)(…
|
| ZINC12501413 | 0.691 | 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 | 0.691 | 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)[…
|
| ZINC1532555 | 0.691 | 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)[…
|
| ZINC16546189 | 0.691 | 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 | 0.691 | 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)…
|
| ZINC3073318 | 0.691 | 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 | 0.691 | 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 | 0.691 | 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…
|
| ZINC9334496 | 0.691 | 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)[…
|
| ZINC71773889 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@H](O)C(=O)O)C[C@H](O)C(=O)O
|
| ZINC71773890 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@H](O)C(=O)O)C[C@@H](O)C(=O)O
|
| ZINC71773891 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@@H](O)C(=O)O)C[C@@H](O)C(=O)O
|
| ZINC71774763 | 0.632 | 432.3 Da LogP -2.23 TPSA 198.3 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)N3CCOCC3…
|
| ZINC4743771 | 0.611 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743772 | 0.611 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC4743774 | 0.611 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743775 | 0.611 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC12503703 | 0.579 | 427.2 Da LogP -1.42 TPSA 232.3 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…
|
| ZINC8215878 | 0.579 | 427.2 Da LogP -1.42 TPSA 232.3 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…
|
| ZINC100058967 | 0.573 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@H]3O[C@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC12504287 | 0.573 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…
|
| ZINC12504288 | 0.573 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@H]3O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC31308647 | 0.573 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…
|
| ZINC106686432 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP…
|
| ZINC12958393 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)O…
|
| ZINC35024781 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC35024785 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC35024786 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)…
|
| ZINC4261903 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O…
|
| ZINC80601236 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O…
|
| ZINC95921560 | 0.568 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC1532637 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c…
|
| ZINC1550030 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c…
|
| ZINC1570863 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(…
|
| ZINC2020098 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(…
|
| ZINC38580950 | 0.565 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…
|
| ZINC4990799 | 0.565 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…
|
| ZINC4990800 | 0.565 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](…
|
| ZINC4990801 | 0.565 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](…
|
| ZINC4990802 | 0.565 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]…
|
| ZINC5605239 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c…
|
| ZINC6119283 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(…
|
| ZINC6585367 | 0.565 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)…
|
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.