Overview
Basic information about this protein and its source genome.
- Accession
- PA3478
- Gene
- rhlB PA3478
- Status
- annotated
- Amino acids
- 426
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 26.316
- Human E-value
- 1.62e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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)
5- GO:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor).
- GO:0008194 Catalysis of the transfer of a glycosyl group from a UDP-sugar to a small hydrophobic molecule.
- GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
- GO:0033072 The chemical reactions and pathways leading to the formation of vancomycin, (3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid, a complex glycopeptide from Streptomyces orientalis that inhibits a specific step in the synthesis of the peptidoglycan layer in Gram-positive bacteria.
- GO:0030259 OBSOLETE. Covalent attachment of a glycosyl residue to a lipid molecule.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 400 | PANTHER | PTHR48050 | STEROL 3-BETA-GLUCOSYLTRANSFERASE |
| 4 | 135 | Pfam | PF03033 | Glycosyltransferase family 28 N-terminal domain |
| 4 | 135 | InterPro | IPR004276 | Glycosyltransferase family 28, N-terminal domain |
| 4 | 228 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 231 | 397 | Pfam | PF00201 | UDP-glucoronosyl and UDP-glucosyl transferase |
| 231 | 397 | InterPro | IPR002213 | UDP-glucuronosyl/UDP-glucosyltransferase |
| 1 | 415 | SUPERFAMILY | SSF53756 | UDP-Glycosyltransferase/glycogen phosphorylase |
| 229 | 391 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 1 | 412 | CDD | cd03784 | GT1_Gtf-like |
| 1 | 412 | InterPro | IPR002213 | UDP-glucuronosyl/UDP-glucosyltransferase |
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
PA3478
|
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 | 0.848 | ||||||
| 2 | 0.729 |
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 |
|---|---|---|---|---|---|---|
| ERY | Q53685 | 733.9 Da LogP 1.79 TPSA 193.9 | 2 viol. | ✓ Clean |
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@](…
|
|
| TYD | Q76KZ6 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…
|
|
| U2F | P96558 | 568.3 Da LogP -3.82 TPSA 276.8 | 3 viol. | ✓ Clean |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
|
|
| UPG | Q06321 | 566.3 Da LogP -4.79 TPSA 297.0 | 3 viol. | ✓ Clean |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
|
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 |
|---|---|---|---|---|---|
| ZINC12503053 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC239222141 | 1.000 | 733.9 Da LogP 1.79 TPSA 193.9 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239222142 | 1.000 | 733.9 Da LogP 1.79 TPSA 193.9 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239415425 | 1.000 | 733.9 Da LogP 1.79 TPSA 193.9 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239415426 | 1.000 | 733.9 Da LogP 1.79 TPSA 193.9 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC33979243 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC33979244 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)…
|
| ZINC33979245 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=…
|
| ZINC33979246 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8215882 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC13507072 | 0.959 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…
|
| ZINC33979251 | 0.959 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC13523519 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(…
|
| ZINC1532628 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=…
|
| ZINC1678872 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC2047010 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870253 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870254 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)…
|
| ZINC6523446 | 0.837 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=…
|
| ZINC239415175 | 0.831 | 790.0 Da LogP 2.75 TPSA 200.0 | 2 viol. | ✓ Clean |
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@…
|
| ZINC239415176 | 0.831 | 790.0 Da LogP 2.75 TPSA 200.0 | 2 viol. | ✓ Clean |
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@…
|
| ZINC239415177 | 0.831 | 790.0 Da LogP 2.75 TPSA 200.0 | 2 viol. | ✓ Clean |
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@…
|
| ZINC239415178 | 0.831 | 790.0 Da LogP 2.75 TPSA 200.0 | 2 viol. | ✓ Clean |
CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@…
|
| ZINC239347287 | 0.807 | 749.0 Da LogP 1.90 TPSA 180.1 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239347288 | 0.807 | 749.0 Da LogP 1.90 TPSA 180.1 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239347289 | 0.807 | 749.0 Da LogP 1.90 TPSA 180.1 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC239347290 | 0.807 | 749.0 Da LogP 1.90 TPSA 180.1 | 2 viol. | ✓ Clean |
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(O…
|
| ZINC111459735 | 0.800 | 481.2 Da LogP -1.20 TPSA 249.9 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](N)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC138164075 | 0.800 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC239165236 | 0.784 | 862.1 Da LogP 2.68 TPSA 226.3 | 2 viol. | ✓ Clean |
CCOC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C…
|
| ZINC239165237 | 0.784 | 862.1 Da LogP 2.68 TPSA 226.3 | 2 viol. | ✓ Clean |
CCOC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C…
|
| ZINC239165238 | 0.784 | 862.1 Da LogP 2.68 TPSA 226.3 | 2 viol. | ✓ Clean |
CCOC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C…
|
| ZINC239165239 | 0.784 | 862.1 Da LogP 2.68 TPSA 226.3 | 2 viol. | ✓ Clean |
CCOC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C…
|
| ZINC142512519 | 0.782 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC17107637 | 0.769 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(N)(N)=O)O2)c(…
|
| ZINC17107641 | 0.769 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(N)(N)=O)O2)c(=…
|
| ZINC5493427 | 0.769 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(N)(N)=O)O2)c(=O…
|
| ZINC5493430 | 0.769 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(N)(N)=O)O2)c(=…
|
| ZINC113218151 | 0.764 | 486.1 Da LogP -1.33 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)…
|
| ZINC80168152 | 0.764 | 486.1 Da LogP -1.33 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…
|
| ZINC59206718 | 0.750 | 498.2 Da LogP -1.98 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…
|
| ZINC13518650 | 0.741 | 418.2 Da LogP -2.31 TPSA 217.8 | 1 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C…
|
| ZINC138954515 | 0.737 | 496.2 Da LogP -1.66 TPSA 261.2 | 2 viol. | ✓ Clean |
O=Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P…
|
| ZINC238901135 | 0.733 | 747.0 Da LogP 3.18 TPSA 159.8 | 2 viol. | ✓ Clean |
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC…
|
| ZINC238901136 | 0.733 | 747.0 Da LogP 3.18 TPSA 159.8 | 2 viol. | ✓ Clean |
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC…
|
| ZINC238901137 | 0.733 | 747.0 Da LogP 3.18 TPSA 159.8 | 2 viol. | ✓ Clean |
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC…
|
| ZINC238901138 | 0.733 | 747.0 Da LogP 3.18 TPSA 159.8 | 2 viol. | ✓ Clean |
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC…
|
| ZINC13519271 | 0.714 | 466.2 Da LogP -0.13 TPSA 223.9 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2CC[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…
|
| ZINC31298140 | 0.714 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…
|
| ZINC81168756 | 0.714 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=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.