Amino acids
245
Annotations
2
Features
25
PDB binders
22
Druggability
0.65
Overview
Basic information about this protein and its source genome.
- Accession
- PA5150
- Gene
- PA5150
- Status
- annotated
- Amino acids
- 245
- Structure source
- AlphaFold
GO
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.
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 34.694
- Human E-value
- 1.89e-11
- 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.
FPocket
0.65
Sequence
Primary amino-acid sequence viewer.
MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
2 GO
Gene Ontology (GO)
2- 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.
- GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
Sequence Features
Domain/signature hits from InterPro and related databases.
25 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 3 | 243 | PANTHER | PTHR42760 | SHORT-CHAIN DEHYDROGENASES/REDUCTASES FAMILY MEMBER |
| 1 | 245 | FunFam | G3DSA:3.40.50.720:FF:000084 | Short-chain dehydrogenase reductase |
| 11 | 244 | Pfam | PF13561 | Enoyl-(Acyl carrier protein) reductase |
| 4 | 245 | Gene3D | G3DSA:3.40.50.720 | - |
| 4 | 245 | SUPERFAMILY | SSF51735 | NAD(P)-binding Rossmann-fold domains |
| 4 | 245 | InterPro | IPR036291 | NAD(P)-binding domain superfamily |
| 156 | 175 | PRINTS | PR00080 | Short-chain dehydrogenase/reductase (SDR) superfamily signature |
| 156 | 175 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 135 | 143 | PRINTS | PR00080 | Short-chain dehydrogenase/reductase (SDR) superfamily signature |
| 135 | 143 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 77 | 88 | PRINTS | PR00080 | Short-chain dehydrogenase/reductase (SDR) superfamily signature |
| 77 | 88 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 143 | 171 | ProSitePatterns | PS00061 | Short-chain dehydrogenases/reductases family signature. |
| 143 | 171 | InterPro | IPR020904 | Short-chain dehydrogenase/reductase, conserved site |
| 129 | 145 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 129 | 145 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 177 | 194 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 177 | 194 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 77 | 88 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 6 | 23 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 6 | 23 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 156 | 175 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 207 | 227 | PRINTS | PR00081 | Glucose/ribitol dehydrogenase family signature |
| 207 | 227 | InterPro | IPR002347 | Short-chain dehydrogenase/reductase SDR |
| 8 | 240 | CDD | cd05233 | SDR_c |
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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High
Medium
Low
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
PA5150
|
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 | 0.65 |
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.
72 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 |
|---|---|---|---|---|---|---|
| 34X | O54438 | 311.3 Da LogP 3.05 TPSA 85.0 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F
|
|
| 36E | O54438 | 186.1 Da LogP 2.58 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)[nH]c(n2)C(F)(F)F
|
|
| 36G | O54438 | 282.3 Da LogP 3.68 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
COc1ccccc1NC(=O)N2CCCc3c2cccc3
|
|
| 36I | O54438 | 297.4 Da LogP 3.19 TPSA 38.2 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4
|
|
| 36K | O54438 | 310.4 Da LogP 3.71 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC
|
|
| 36P | O54438 | 312.4 Da LogP 4.07 TPSA 33.2 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4
|
|
| 3X3 | O54438 | 318.3 Da LogP 3.50 TPSA 66.0 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4
|
|
| 5XC | A0A1A9TAK5 | 150.1 Da LogP 1.23 TPSA 35.5 | ✓ Ro5 | ✓ Clean |
c1cc2c(cc1C=O)OCO2
|
|
| 8M5 | O54438 | 250.3 Da LogP 3.43 TPSA 34.0 | ✓ Ro5 | ✓ Clean |
Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3
|
|
| 9KQ | O54438 | 273.3 Da LogP 2.88 TPSA 56.5 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4
|
|
| AEF | A0A1A9TAK5 | 137.2 Da LogP 0.89 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1CCN)O
|
|
| FXE | O54438 | 326.4 Da LogP 3.23 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC
|
|
| HBR | H9XP47 | 88.1 Da LogP -0.04 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C[C@H](C(=O)C)O
|
|
| J2T | O54438 | 252.3 Da LogP 1.75 TPSA 68.0 | ✓ Ro5 | ✓ Clean |
c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2
|
|
| MLH | V5VHN7 | 417.3 Da LogP 4.34 TPSA 54.7 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O
|
|
| NKH | O54438 | 342.8 Da LogP 4.16 TPSA 60.5 | ✓ Ro5 | ✓ Clean |
COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3
|
|
| O74 | O54438 | 347.8 Da LogP 4.53 TPSA 53.5 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4…
|
|
| PTO | P50163 | 141.2 Da LogP 0.60 TPSA 23.5 | ✓ Ro5 | ✓ Clean |
CN1[C@H]2CC[C@@H]1CC(C2)O
|
|
| Q7U | O54438 | 300.7 Da LogP 3.87 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl
|
|
| TNE | P50163 | 139.2 Da LogP 0.81 TPSA 20.3 | ✓ Ro5 | ✓ Clean |
CN1[C@H]2CC[C@@H]1CC(=O)C2
|
|
| U98 | O54438 | 317.3 Da LogP 2.49 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
|
|
| WI4 | O54438 | 271.7 Da LogP 3.06 TPSA 55.6 | ✓ Ro5 | ✓ Clean |
c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl
|
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 |
|---|---|---|---|---|---|
| ZINC1233995 | 1.000 | 417.3 Da LogP 4.34 TPSA 54.7 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1c(CN(C)C)n(-c2ccccc2)c2cc(Br)c(O)cc12
|
| ZINC13152723 | 1.000 | 310.4 Da LogP 3.71 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
CCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21
|
| ZINC1399281 | 1.000 | 297.4 Da LogP 3.19 TPSA 38.2 | ✓ Ro5 | ✓ Clean |
c1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1
|
| ZINC27923853 | 1.000 | 300.7 Da LogP 3.87 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
Cn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21
|
| ZINC318945 | 1.000 | 282.3 Da LogP 3.68 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
COc1ccccc1NC(=O)N1CCCc2ccccc21
|
| ZINC481463 | 1.000 | 317.3 Da LogP 2.49 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
|
| ZINC7913991 | 1.000 | 250.3 Da LogP 3.43 TPSA 34.0 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2ccccc2)c2ccccc21
|
| ZINC8231765 | 1.000 | 342.8 Da LogP 4.16 TPSA 60.5 | ✓ Ro5 | ✓ Clean |
COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl
|
| ZINC8429509 | 1.000 | 312.4 Da LogP 4.07 TPSA 33.2 | ✓ Ro5 | ✓ Clean |
O=C(c1csc(-c2ccsc2)n1)N1CCc2ccccc21
|
| ZINC8723457 | 1.000 | 252.3 Da LogP 1.75 TPSA 68.0 | ✓ Ro5 | ✓ Clean |
c1cc2c(cc1Nc1ccc3nnnn3n1)CCC2
|
| ZINC8726387 | 1.000 | 273.3 Da LogP 2.88 TPSA 56.5 | ✓ Ro5 | ✓ Clean |
c1ccc(-c2nc(-n3cnnc3)c3ccccc3n2)cc1
|
| ZINC89647 | 1.000 | 271.7 Da LogP 3.06 TPSA 55.6 | ✓ Ro5 | ✓ Clean |
Clc1ccccc1Nc1ncnc(-n2cccc2)n1
|
| ZINC9338279 | 1.000 | 311.3 Da LogP 3.05 TPSA 85.0 | ✓ Ro5 | ✓ Clean |
Nc1nc(-c2ccccc2)cn1NC(=O)Nc1ccccc1F
|
| ZINC451821 | 0.857 | 268.3 Da LogP 3.29 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
COc1ccccc1NC(=O)N1CCc2ccccc21
|
| ZINC8453886 | 0.849 | 431.3 Da LogP 4.65 TPSA 54.7 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1c(CN(C)C)n(-c2ccc(C)cc2)c2cc(Br)c(O)c…
|
| ZINC12534489 | 0.833 | 307.4 Da LogP 3.39 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
|
| ZINC27923895 | 0.833 | 335.2 Da LogP 4.52 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
Cn1c(NC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21
|
| ZINC7917230 | 0.833 | 264.3 Da LogP 3.74 TPSA 34.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
|
| ZINC32497089 | 0.811 | 278.3 Da LogP 2.79 TPSA 51.1 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc21
|
| ZINC27923339 | 0.800 | 340.4 Da LogP 3.72 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
CCn1c(NC(=O)Nc2cc(OC)ccc2OC)nc2ccccc21
|
| ZINC5222178 | 0.800 | 431.3 Da LogP 4.64 TPSA 43.7 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1c(CN(C)C)n(-c2ccccc2)c2cc(Br)c(OC)cc12
|
| ZINC95453238 | 0.800 | 360.8 Da LogP 4.30 TPSA 60.5 | ✓ Ro5 | ✓ Clean |
COc1cc(NC(=O)c2cc(F)cc3cccnc23)c(OC)cc1Cl
|
| ZINC8074404 | 0.795 | 293.3 Da LogP 2.53 TPSA 77.1 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21
|
| ZINC32726013 | 0.789 | 251.3 Da LogP 2.83 TPSA 46.9 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2ccncc2)c2ccccc21
|
| ZINC15934558 | 0.787 | 312.4 Da LogP 3.69 TPSA 50.8 | ✓ Ro5 | ✓ Clean |
COc1ccc(OC)c(NC(=O)N2CCCc3ccccc32)c1
|
| ZINC15934559 | 0.787 | 312.4 Da LogP 3.69 TPSA 50.8 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1
|
| ZINC27923428 | 0.784 | 344.8 Da LogP 4.36 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
CCn1c(NC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21
|
| ZINC5875060 | 0.780 | 281.4 Da LogP 3.96 TPSA 29.0 | ✓ Ro5 | ✓ Clean |
c1ccc(-c2nc(N3CCCC3)c3sccc3n2)cc1
|
| ZINC2027558 | 0.773 | 318.3 Da LogP 3.09 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
|
| ZINC16552269 | 0.771 | 296.4 Da LogP 3.99 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
COc1ccccc1NC(=O)N1CCCc2cc(C)ccc21
|
| ZINC6726962 | 0.771 | 296.4 Da LogP 3.99 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
COc1ccc(C)cc1NC(=O)N1CCCc2ccccc21
|
| ZINC12515506 | 0.769 | 307.4 Da LogP 3.39 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1cccc(NC(=O)c2cn(C)c3ccccc23)c1
|
| ZINC15934557 | 0.766 | 296.4 Da LogP 4.07 TPSA 41.6 | ✓ Ro5 | ✓ Clean |
CCOc1ccccc1NC(=O)N1CCCc2ccccc21
|
| ZINC5903093 | 0.762 | 309.4 Da LogP 4.74 TPSA 29.0 | ✓ Ro5 | ✓ Clean |
c1ccc(-c2nc(N3CCCCCC3)c3sccc3n2)cc1
|
| ZINC27646798 | 0.761 | 313.4 Da LogP 2.90 TPSA 58.5 | ✓ Ro5 | ✓ Clean |
Oc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1
|
| ZINC12537702 | 0.750 | 251.3 Da LogP 2.83 TPSA 46.9 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2cccnc2)c2ccccc21
|
| ZINC13681005 | 0.750 | 229.3 Da LogP 2.69 TPSA 55.5 | ✓ Ro5 | ✓ Clean |
NCCc1ccc(Oc2ccc(O)cc2)cc1
|
| ZINC15517080 | 0.750 | 280.3 Da LogP 3.44 TPSA 43.3 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
|
| ZINC238546717 | 0.750 | 247.0 Da LogP 3.01 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
FC(F)(Br)c1nc2ccccc2[nH]1
|
| ZINC58201461 | 0.750 | 321.4 Da LogP 3.78 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
CCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
|
| ZINC35585 | 0.745 | 327.2 Da LogP 3.66 TPSA 60.5 | ✓ Ro5 | ✓ Clean |
COc1cc(NC(=O)c2cccnc2Cl)c(OC)cc1Cl
|
| ZINC14139384 | 0.740 | 312.8 Da LogP 4.15 TPSA 51.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)c2cccc3cccnc23)cc1Cl
|
| ZINC13572776 | 0.739 | 298.4 Da LogP 3.84 TPSA 24.5 | ✓ Ro5 | ✓ Clean |
COc1ccccc1NC(=S)N1CCCc2ccccc21
|
| ZINC27923561 | 0.739 | 328.8 Da LogP 4.74 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
CCCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21
|
| ZINC27924114 | 0.738 | 280.3 Da LogP 3.53 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1NC(=O)Nc1nc2ccccc2n1C
|
| ZINC704414 | 0.736 | 374.2 Da LogP 4.58 TPSA 51.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)cc12
|
| ZINC10651406 | 0.735 | 295.3 Da LogP 3.32 TPSA 56.2 | ✓ Ro5 | ✓ Clean |
CCn1c(NC(=O)c2ccccc2OC)nc2ccccc21
|
| ZINC27923310 | 0.733 | 314.8 Da LogP 4.35 TPSA 59.0 | ✓ Ro5 | ✓ Clean |
CCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21
|
| ZINC10550167 | 0.732 | 343.4 Da LogP 2.80 TPSA 80.2 | ✓ Ro5 | ✓ Clean |
Cn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc21
|
| ZINC7941110 | 0.732 | 308.3 Da LogP 3.22 TPSA 60.3 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1
|
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.