Overview
Basic information about this protein and its source genome.
- Accession
- PA3540
- Gene
- PA3540 algD
- Status
- annotated
- Amino acids
- 436
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 33.929
- Human E-value
- 1.84e-08
- 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.
Enzyme Commission (EC)
1Gene Ontology (GO)
7- GO:0047919 Catalysis of the reaction: GDP-alpha-D-mannose + H2O + 2 NAD+ = GDP-D-mannuronate + 3 H+ + 2 NADH.
- 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:0042121 The chemical reactions and pathways resulting in the formation of alginic acid, a hydrophilic polysaccharide occurring in, for example, the cell walls of brown algae (brown seaweeds).
- GO:0036460 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 stress acting at the cell envelope.
- GO:0006970 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus indicating an increase or decrease in the concentration of solutes outside the organism or cell.
- GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.
- 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.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 436 | PIRSF | PIRSF500135 | GDPman_DH |
| 1 | 436 | InterPro | IPR028358 | GDP-mannose 6-dehydrogenase |
| 16 | 20 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 16 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 317 | 425 | SMART | SM00984 | UDPG_MGDP_dh_C_a_2_a |
| 317 | 425 | InterPro | IPR014027 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 305 | 434 | SUPERFAMILY | SSF52413 | UDP-glucose/GDP-mannose dehydrogenase C-terminal domain |
| 305 | 434 | InterPro | IPR036220 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal domain superfamily |
| 235 | 436 | FunFam | G3DSA:3.40.50.720:FF:000664 | GDP-mannose 6-dehydrogenase |
| 1 | 202 | Gene3D | G3DSA:3.40.50.720 | - |
| 1 | 436 | PIRSF | PIRSF000124 | UDPglc_GDPman_dh |
| 1 | 436 | InterPro | IPR017476 | UDP-glucose/GDP-mannose dehydrogenase |
| 1 | 20 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 318 | 405 | Pfam | PF03720 | UDP-glucose/GDP-mannose dehydrogenase family, UDP binding domain |
| 318 | 405 | InterPro | IPR014027 | UDP-glucose/GDP-mannose dehydrogenase, C-terminal |
| 235 | 436 | Gene3D | G3DSA:3.40.50.720 | - |
| 1 | 190 | Pfam | PF03721 | UDP-glucose/GDP-mannose dehydrogenase family, NAD binding domain |
| 1 | 190 | InterPro | IPR001732 | UDP-glucose/GDP-mannose dehydrogenase, N-terminal |
| 1 | 195 | SUPERFAMILY | SSF51735 | NAD(P)-binding Rossmann-fold domains |
| 1 | 195 | InterPro | IPR036291 | NAD(P)-binding domain superfamily |
| 204 | 300 | SUPERFAMILY | SSF48179 | 6-phosphogluconate dehydrogenase C-terminal domain-like |
| 204 | 300 | InterPro | IPR008927 | 6-phosphogluconate dehydrogenase-like, C-terminal domain superfamily |
| 21 | 436 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 410 | NCBIfam | TIGR03026 | nucleotide sugar dehydrogenase |
| 1 | 410 | InterPro | IPR017476 | UDP-glucose/GDP-mannose dehydrogenase |
| 1 | 404 | PANTHER | PTHR43750 | UDP-GLUCOSE 6-DEHYDROGENASE TUAD |
| 205 | 298 | Pfam | PF00984 | UDP-glucose/GDP-mannose dehydrogenase family, central domain |
| 205 | 298 | InterPro | IPR014026 | UDP-glucose/GDP-mannose dehydrogenase, dimerisation |
| 203 | 234 | Gene3D | G3DSA:1.20.5.170 | - |
| 4 | 15 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 202 | FunFam | G3DSA:3.40.50.720:FF:000573 | GDP-mannose 6-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
3 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
1MV8
|
X-ray | 1.55 Å | A,B,C,D |
|
Viewing | |
|
PDB
1MUU
|
X-ray | 2.02 Å | A,B,C,D |
|
Loaded | |
|
PDB
1MFZ
|
X-ray | 2.80 Å | A,B,C,D |
|
Loaded | |
|
AlphaFold
PA3540
|
AlphaFold | — | — | full sequence | — | Loaded |
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 | 0.778 | ||||||
| 2 | 0.211 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 13.66 | 0.695 | ||||||
| 2 | 10.82 | 0.581 | ||||||
| 3 | 9.3 | 0.499 | ||||||
| 4 | 8.31 | 0.443 | ||||||
| 5 | 3.74 | 0.143 |
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 | 0.847 |
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.
| Ligand | Source crystal | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| GDX | 619.3 Da LogP -4.54 TPSA 348.8 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
|
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 |
|---|---|---|---|---|---|---|
| CXS | A0A0J9WZA6 | 221.3 Da LogP 1.19 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
C1CCC(CC1)NCCCS(=O)(=O)O
|
|
| SAJ | O59284 | 621.3 Da LogP -4.56 TPSA 322.9 | 3 viol. | ✓ Clean |
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(…
|
|
| UGA | A0A0J9WZA6 | 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 |
|---|---|---|---|---|---|
| ZINC2004372 | 1.000 | 221.3 Da LogP 1.19 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCNC1CCCCC1
|
| ZINC38364153 | 0.926 | 235.3 Da LogP 1.58 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCNC1CCCCC1
|
| ZINC1710230 | 0.786 | 207.3 Da LogP 0.80 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCNC1CCCCC1
|
| ZINC104869865 | 0.729 | 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 | 0.729 | 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 | 0.729 | 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 | 0.729 | 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 | 0.729 | 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 | 0.729 | 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 | 0.729 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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 | 0.671 | 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)[…
|
| ZINC59873508 | 0.632 | 297.2 Da LogP -2.59 TPSA 176.6 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]…
|
| ZINC5188799 | 0.630 | 280.5 Da LogP 4.39 TPSA 24.1 | ✓ Ro5 | ✓ Clean |
C(CCCNC1CCCCC1)CCNC1CCCCC1
|
| ZINC71774763 | 0.595 | 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 | 0.573 | 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 | 0.573 | 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 | 0.573 | 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 | 0.573 | 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 | 0.564 | 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 | 0.564 | 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 | 0.558 | 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 | 0.558 | 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 | 0.558 | 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 | 0.558 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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 | 0.553 | 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…
|
| ZINC1570863 | 0.549 | 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(…
|
| ZINC3869968 | 0.549 | 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)…
|
| ZINC3869969 | 0.549 | 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)…
|
| ZINC3869970 | 0.549 | 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…
|
| ZINC4990799 | 0.549 | 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 | 0.549 | 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 | 0.549 | 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 | 0.549 | 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 | 0.549 | 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…
|
| ZINC97973760 | 0.549 | 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](…
|
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.