Amino acids
453
Annotations
7
Features
31
PDB binders
5
Druggability
0.466
Overview
Basic information about this protein and its source genome.
- Accession
- PA2022
- Gene
- ugd udg PA2022
- Status
- annotated
- Amino acids
- 453
- Structure source
- AlphaFold
EC
GO
GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.
GO:0003979 Catalysis of the reaction: H2O + 2 NAD+ + UDP-alpha-D-glucose = 3 H+ + 2 NADH + UDP-alpha-D-glucuronate.
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:0006065 The chemical reactions and pathways resulting in the formation of UDP-glucuronate, a substance composed of glucuronic acid in glycosidic linkage with uridine diphosphate.
GO:0000271 The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 34.731
- Human E-value
- 3.27e-22
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Unknown
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.
FPocket
0.466
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
6 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.
- GO:0003979 Catalysis of the reaction: H2O + 2 NAD+ + UDP-alpha-D-glucose = 3 H+ + 2 NADH + UDP-alpha-D-glucuronate.
- 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:0006065 The chemical reactions and pathways resulting in the formation of UDP-glucuronate, a substance composed of glucuronic acid in glycosidic linkage with uridine diphosphate.
- GO:0000271 The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
- GO:0016616 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group acts as a hydrogen or electron donor and reduces NAD+ or NADP.
Sequence Features
Domain/signature hits from InterPro and related databases.
31 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 15 | 20 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 16 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 204 | 301 | SUPERFAMILY | SSF48179 | 6-phosphogluconate dehydrogenase C-terminal domain-like |
| 204 | 301 | InterPro | IPR008927 | 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily |
| 1 | 445 | PIRSF | PIRSF500134 | UDPglc_DH_bac |
| 1 | 445 | InterPro | IPR028357 | UDP-glucose 6-dehydrogenase, bacterial type |
| 1 | 202 | Gene3D | G3DSA:3.40.50.720 | - |
| 21 | 453 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 320 | 426 | Pfam | PF03720 | UDP-glucose/GDP-mannose dehydrogenase family, UDP binding domain |
| 320 | 426 | InterPro | IPR014027 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal |
| 1 | 423 | NCBIfam | TIGR03026 | nucleotide sugar dehydrogenase |
| 1 | 423 | InterPro | IPR017476 | UDP-glucose/GDP-mannose dehydrogenase |
| 235 | 452 | Gene3D | G3DSA:3.40.50.720 | - |
| 3 | 14 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 187 | Pfam | PF03721 | UDP-glucose/GDP-mannose dehydrogenase family, NAD binding domain |
| 1 | 187 | InterPro | IPR001732 | UDP-glucose/GDP-mannose dehydrogenase, N-terminal |
| 312 | 437 | SUPERFAMILY | SSF52413 | UDP-glucose/GDP-mannose dehydrogenase C-terminal domain |
| 312 | 437 | InterPro | IPR036220 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal domain superfamily |
| 1 | 20 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 1 | 2 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 442 | PANTHER | PTHR43750 | UDP-GLUCOSE 6-DEHYDROGENASE TUAD |
| 320 | 427 | SMART | SM00984 | UDPG_MGDP_dh_C_a_2_a |
| 320 | 427 | InterPro | IPR014027 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal |
| 1 | 442 | PIRSF | PIRSF000124 | UDPglc_GDPman_dh |
| 1 | 442 | InterPro | IPR017476 | UDP-glucose/GDP-mannose dehydrogenase |
| 203 | 233 | Gene3D | G3DSA:1.20.5.100 | - |
| 1 | 195 | SUPERFAMILY | SSF51735 | NAD(P)-binding Rossmann-fold domains |
| 1 | 195 | InterPro | IPR036291 | NAD(P)-binding domain superfamily |
| 1 | 18 | ProSiteProfiles | PS51257 | Prokaryotic membrane lipoprotein lipid attachment site profile. |
| 204 | 296 | Pfam | PF00984 | UDP-glucose/GDP-mannose dehydrogenase family, central domain |
| 204 | 296 | InterPro | IPR014026 | UDP-glucose/GDP-mannose dehydrogenase, dimerisation |
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...
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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
PA2022
|
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 | 0.466 |
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.
55 records
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 |
|---|---|---|---|---|---|---|
| PG5 | O60701 | 178.2 Da LogP 0.31 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOC
|
|
| POP | O60701 | 176.0 Da LogP -2.08 TPSA 129.9 | ✓ Ro5 | ✓ Clean |
O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
|
|
| UDX | O60701 | 536.3 Da LogP -4.15 TPSA 276.8 | 3 viol. | ✓ Clean |
C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@]…
|
|
| UGA | C9E261 | 580.3 Da LogP -4.70 TPSA 314.1 | 3 viol. | ✓ Clean |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
|
|
| UPG | A1RUM9 | 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 |
|---|---|---|---|---|---|
| ZINC1692489 | 1.000 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC4530388 | 1.000 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC5701172 | 1.000 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 | 1.000 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| ZINC34764844 | 0.733 | 206.3 Da LogP 1.09 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCCOCCOCCOCCOC
|
| ZINC12959005 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC12959016 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O…
|
| ZINC13548378 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC25726233 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC3861755 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875255 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875256 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC3875257 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875258 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC88466482 | 0.729 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC35636069 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[…
|
| ZINC40655887 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[…
|
| ZINC40655889 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC44460318 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC4490939 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585026 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585028 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
| ZINC8585030 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585032 | 0.724 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
| ZINC140264883 | 0.688 | 223.3 Da LogP -0.43 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCON
|
| ZINC143705779 | 0.688 | 443.5 Da LogP -0.34 TPSA 118.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCON
|
| ZINC1580161 | 0.688 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 0.688 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 0.688 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC33358855 | 0.688 | 207.3 Da LogP -0.36 TPSA 62.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCN
|
| ZINC34317654 | 0.688 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44583772 | 0.688 | 356.5 Da LogP 0.66 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCS
|
| ZINC5024003 | 0.688 | 251.3 Da LogP -0.34 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCN
|
| ZINC5210101 | 0.688 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC575432090 | 0.688 | 355.4 Da LogP -0.38 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCON
|
| ZINC575432265 | 0.688 | 399.5 Da LogP -0.36 TPSA 109.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCON
|
| ZINC5997860 | 0.688 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC71254558 | 0.688 | 444.6 Da LogP 0.70 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC71254563 | 0.688 | 488.6 Da LogP 0.71 TPSA 92.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC80685077 | 0.688 | 427.5 Da LogP -0.28 TPSA 109.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC83253927 | 0.688 | 400.5 Da LogP 0.68 TPSA 73.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC83253930 | 0.688 | 224.3 Da LogP 0.61 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCS
|
| ZINC83253936 | 0.688 | 383.5 Da LogP -0.29 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC90556279 | 0.688 | 295.4 Da LogP -0.33 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCN
|
| ZINC90556280 | 0.688 | 339.4 Da LogP -0.31 TPSA 90.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCN
|
| ZINC90556286 | 0.688 | 312.4 Da LogP 0.65 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCS
|
| ZINC90556287 | 0.688 | 268.4 Da LogP 0.63 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCS
|
| ZINC96503353 | 0.688 | 471.6 Da LogP -0.26 TPSA 118.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC102211562 | 0.672 | 490.3 Da LogP -1.89 TPSA 206.8 | 1 viol. | ✓ Clean |
C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1…
|
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.