Overview
Basic information about this protein and its source genome.
- Accession
- PA4524
- Gene
- nadC PA4524
- Status
- annotated
- Amino acids
- 282
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 42.045
- Human E-value
- 6.39e-11
- 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.
MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
5- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0004514 Catalysis of the reaction: CO2 + diphosphate + nicotinate D-ribonucleotide = 5-phospho-alpha-D-ribose 1-diphosphate + 2 H+ + quinolinate.
- GO:0009435 The chemical reactions and pathways resulting in the formation of nicotinamide adenine dinucleotide (NAD+), a coenzyme that interconverts with its reduced form, NADH, in many redox and catabolic reactions. NAD+ is derived from various sources including vitamin B3.
- GO:0034213 The chemical reactions and pathways resulting in the breakdown of quinolinate, the anion of quinolinic acid, also known as 2,3-pyridinedicarboxylic acid.
- GO:0016763 Catalysis of the transfer of a pentosyl group from one compound (donor) to another (acceptor).
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 123 | 275 | Gene3D | G3DSA:3.20.20.70 | Aldolase class I |
| 123 | 275 | InterPro | IPR013785 | Aldolase-type TIM barrel |
| 7 | 282 | PIRSF | PIRSF006250 | NadC_ModD |
| 7 | 282 | InterPro | IPR027277 | Nicotinate-nucleotide pyrophosphorylase/Putative pyrophosphorylase ModD |
| 15 | 279 | CDD | cd01572 | QPRTase |
| 15 | 279 | InterPro | IPR004393 | Nicotinate-nucleotide pyrophosphorylase |
| 116 | 279 | Pfam | PF01729 | Quinolinate phosphoribosyl transferase, C-terminal domain |
| 116 | 279 | InterPro | IPR002638 | Quinolinate phosphoribosyl transferase, C-terminal |
| 116 | 280 | SUPERFAMILY | SSF51690 | Nicotinate/Quinolinate PRTase C-terminal domain-like |
| 116 | 280 | InterPro | IPR036068 | Nicotinate phosphoribosyltransferase-like, C-terminal |
| 20 | 131 | FunFam | G3DSA:3.90.1170.20:FF:000007 | Nicotinate-nucleotide pyrophosphorylase (Carboxylating) |
| 12 | 114 | SUPERFAMILY | SSF54675 | Nicotinate/Quinolinate PRTase N-terminal domain-like |
| 10 | 280 | PANTHER | PTHR32179 | NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE [CARBOXYLATING] |
| 10 | 280 | InterPro | IPR027277 | Nicotinate-nucleotide pyrophosphorylase/Putative pyrophosphorylase ModD |
| 24 | 278 | Gene3D | G3DSA:3.90.1170.20 | - |
| 24 | 278 | InterPro | IPR037128 | Quinolinate phosphoribosyl transferase, N-terminal domain superfamily |
| 17 | 279 | NCBIfam | TIGR00078 | carboxylating nicotinate-nucleotide diphosphorylase |
| 17 | 279 | InterPro | IPR004393 | Nicotinate-nucleotide pyrophosphorylase |
| 129 | 270 | FunFam | G3DSA:3.20.20.70:FF:000030 | Nicotinate-nucleotide pyrophosphorylase, carboxylating |
| 25 | 113 | Pfam | PF02749 | Quinolinate phosphoribosyl transferase, N-terminal domain |
| 25 | 113 | InterPro | IPR022412 | Quinolinate phosphoribosyl transferase, N-terminal |
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
PA4524
|
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 | 0.68 |
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 |
|---|---|---|---|---|---|---|
| NCN | O25909 | 335.2 Da LogP -2.23 TPSA 160.5 | ✓ Ro5 | ✓ Clean |
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P…
|
|
| NTM | O25909 | 167.1 Da LogP 0.48 TPSA 87.5 | ✓ Ro5 | ✓ Clean |
c1cc(c(nc1)C(=O)O)C(=O)O
|
|
| PHT | O25909 | 166.1 Da LogP 1.08 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
c1ccc(c(c1)C(=O)O)C(=O)O
|
|
| SRT | Q15274 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@H](C(=O)O)O)(C(=O)O)O
|
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 |
|---|---|---|---|---|---|
| ZINC4095572 | 0.830 | 336.2 Da LogP -1.60 TPSA 157.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…
|
| ZINC77311659 | 0.830 | 336.2 Da LogP -1.60 TPSA 157.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…
|
| ZINC77311660 | 0.830 | 336.2 Da LogP -1.60 TPSA 157.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…
|
| ZINC77311661 | 0.830 | 336.2 Da LogP -1.60 TPSA 157.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…
|
| ZINC105146 | 0.722 | 242.2 Da LogP 2.75 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1-c1ccccc1C(=O)O
|
| ZINC12359024 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC13533920 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC1532740 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC1549593 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC2013424 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC3581021 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC3860635 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC5783661 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC6072527 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC135598 | 0.690 | 227.2 Da LogP 2.01 TPSA 67.3 | ✓ Ro5 | ✓ Clean |
O=C(c1ccccc1)c1cccnc1C(=O)O
|
| ZINC343335 | 0.690 | 227.2 Da LogP 2.01 TPSA 67.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1C(=O)c1ccccc1
|
| ZINC12503278 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…
|
| ZINC1532667 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)(O)O)[C@H]…
|
| ZINC2545161 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)(O)O)[C@H…
|
| ZINC3870109 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)(O)O)[C@@…
|
| ZINC40465856 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…
|
| ZINC40762833 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)O)[C@@H]…
|
| ZINC4228273 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…
|
| ZINC77311638 | 0.673 | 335.2 Da LogP -2.20 TPSA 163.4 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…
|
| ZINC1600331 | 0.667 | 330.2 Da LogP 2.15 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1C(=O)O
|
| ZINC1296728 | 0.654 | 244.2 Da LogP 1.54 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ncccc1-c1cccnc1C(=O)O
|
| ZINC47217 | 0.654 | 244.2 Da LogP 1.54 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1-c1ncccc1C(=O)O
|
| ZINC4096931 | 0.646 | 256.2 Da LogP -1.72 TPSA 111.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]…
|
| ZINC388710 | 0.632 | 210.1 Da LogP 0.78 TPSA 111.9 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc(C(=O)O)c1C(=O)O
|
| ZINC45070868 | 0.632 | 216.2 Da LogP 2.24 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccc2c(C(=O)O)cccc12
|
| ZINC151254 | 0.607 | 202.0 Da LogP 1.54 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1Br
|
| ZINC2456171 | 0.607 | 202.0 Da LogP 1.54 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ncccc1Br
|
| ZINC39243629 | 0.607 | 249.0 Da LogP 1.38 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1I
|
| ZINC5944065 | 0.607 | 249.0 Da LogP 1.38 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ncccc1I
|
| ZINC20272728 | 0.606 | 209.2 Da LogP 1.34 TPSA 76.5 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)c1ncccc1C(=O)O
|
| ZINC59916715 | 0.606 | 223.2 Da LogP 1.74 TPSA 76.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)c1cccnc1C(=O)O
|
| ZINC72233329 | 0.606 | 209.2 Da LogP 1.34 TPSA 76.5 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)c1cccnc1C(=O)O
|
| ZINC1560405156 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC1560405157 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC2158679 | 0.588 | 243.2 Da LogP 1.43 TPSA 92.2 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccn1)c1cccnc1C(=O)O
|
| ZINC1857793323 | 0.586 | 320.3 Da LogP 3.21 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1-c1ccc(-c2ncccc2C(=O)O)cc1
|
| ZINC142147 | 0.583 | 219.2 Da LogP 1.62 TPSA 57.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1C(=O)N1CCCC1
|
| ZINC2182270 | 0.583 | 224.2 Da LogP 0.16 TPSA 88.5 | ✓ Ro5 | ✓ Clean |
COCCNC(=O)c1cccnc1C(=O)O
|
| ZINC2575594 | 0.583 | 270.3 Da LogP 1.75 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
O=C(NCCc1ccccc1)c1cccnc1C(=O)O
|
| ZINC394746 | 0.583 | 242.2 Da LogP 2.32 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1C(=O)c1ccc(O)cc1
|
| ZINC1732721 | 0.571 | 222.2 Da LogP 1.31 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
CCCCNC(=O)c1ncccc1C(=O)O
|
| ZINC40803118 | 0.571 | 270.3 Da LogP 1.75 TPSA 79.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cccnc1C(=O)NCCc1ccccc1
|
| ZINC4649243 | 0.571 | 286.2 Da LogP 1.73 TPSA 116.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(NC(=O)c2cccnc2C(=O)O)cc1
|
| ZINC9694250 | 0.571 | 286.2 Da LogP 1.73 TPSA 116.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1
|
| ZINC1602105 | 0.565 | 242.2 Da LogP 2.75 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(-c2ccccc2)cc1C(=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.