Protein profile
PA1920
anaerobic ribonucleoside triphosphate reductase
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA1920
- Gene
- PA1920 nrdD
- Status
- annotated
- Amino acids
- 675
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- 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.
Gene Ontology (GO)
7- GO:0031250 An enzyme complex composed of 4 subunits, 2 copies of the large protein (nrdD in E. coli) and 2 copies of the small protein (nrdG in E. coli). It catalyzes the generation of 2'deoxyribonucleotides under anaerobic growth conditions. The larger subunit is the catalytic unit that is activated by the smaller iron-binding subunit.
- GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
- GO:0004748 Catalysis of the reaction: 2'-deoxyribonucleoside diphosphate + thioredoxin disulfide + H2O = ribonucleoside diphosphate + thioredoxin. Thioredoxin disulfide is the oxidized form of thioredoxin.
- GO:0008998 Catalysis of the reaction: [thioredoxin]-disulfide + a 2'-deoxyribonucleoside 5'-triphosphate + H2O = [thioredoxin]-dithiol + a ribonucleoside 5'-triphosphate.
- GO:0009265 The chemical reactions and pathways resulting in the formation of a 2'-deoxyribonucleotide, a compound consisting of 2'-deoxyribonucleoside (a base linked to a 2'-deoxyribose sugar) esterified with a phosphate group at either the 3' or 5'-hydroxyl group of the sugar.
- GO:0006260 The cellular metabolic process in which a cell duplicates one or more molecules of DNA. DNA replication begins when specific sequences, known as origins of replication, are recognized and bound by the origin recognition complex, and ends when the original DNA molecule has been completely duplicated and the copies topologically separated. The unit of replication usually corresponds to the genome of the cell, an organelle, or a virus. The template for replication can either be an existing DNA molecule or RNA.
- 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.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 127 | 660 | SUPERFAMILY | SSF51998 | PFL-like glycyl radical enzymes |
| 11 | 100 | ProSiteProfiles | PS51161 | ATP-cone domain profile. |
| 11 | 100 | InterPro | IPR005144 | ATP-cone domain |
| 126 | 659 | NCBIfam | TIGR02487 | anaerobic ribonucleoside-triphosphate reductase |
| 126 | 659 | InterPro | IPR012833 | Ribonucleoside-triphosphate reductase, anaerobic |
| 126 | 675 | CDD | cd01675 | RNR_III |
| 126 | 675 | InterPro | IPR012833 | Ribonucleoside-triphosphate reductase, anaerobic |
| 13 | 660 | PANTHER | PTHR21075 | ANAEROBIC RIBONUCLEOSIDE-TRIPHOSPHATE REDUCTASE |
| 140 | 665 | FunFam | G3DSA:3.20.70.20:FF:000024 | Anaerobic ribonucleoside triphosphate reductase |
| 14 | 96 | Pfam | PF03477 | ATP cone domain |
| 14 | 96 | InterPro | IPR005144 | ATP-cone domain |
| 127 | 658 | Pfam | PF13597 | Anaerobic ribonucleoside-triphosphate reductase |
| 127 | 658 | InterPro | IPR012833 | Ribonucleoside-triphosphate reductase, anaerobic |
| 140 | 665 | Gene3D | G3DSA:3.20.70.20 | - |
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
PA1920
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.395 |
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 |
|---|---|---|---|---|---|---|
| DTP | A3XHF9 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@]…
|
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 |
|---|---|---|---|---|---|
| ZINC13434879 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)…
|
| ZINC13434881 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@@](=O)(…
|
| ZINC13434883 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO[P@@](=O…
|
| ZINC13434884 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@@](=O)…
|
| ZINC8215662 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)…
|
| ZINC8664605 | 1.000 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O…
|
| ZINC12495199 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO[P@@](=O…
|
| ZINC13434873 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)…
|
| ZINC13434875 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@@](=O)(…
|
| ZINC13434876 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO[P@](=O)…
|
| ZINC13434878 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@@](=O)…
|
| ZINC8215728 | 0.981 | 411.2 Da LogP -0.72 TPSA 212.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)…
|
| ZINC196576711 | 0.842 | 490.2 Da LogP -0.63 TPSA 264.7 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](N)[C@H](CO[P@@](=O)…
|
| ZINC12958401 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)…
|
| ZINC13538980 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](COP(=O)(O…
|
| ZINC13538982 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](COP(=O)(O)…
|
| ZINC1532626 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](COP(=O)(O)…
|
| ZINC1713574 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O…
|
| ZINC3869813 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](COP(=O)(O)O…
|
| ZINC3869814 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](COP(=O)(O)O)…
|
| ZINC3869815 | 0.833 | 331.2 Da LogP -0.83 TPSA 165.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=O)(O)O…
|
| ZINC8217141 | 0.807 | 492.2 Da LogP -0.48 TPSA 253.1 | 2 viol. | ✓ Clean |
O=P(O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H…
|
| ZINC12501218 | 0.733 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC12501706 | 0.733 | 475.2 Da LogP 0.43 TPSA 238.7 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)(O)O[P@@…
|
| ZINC12501708 | 0.733 | 475.2 Da LogP 0.43 TPSA 238.7 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO[P@@](=O)(O)O[P@…
|
| ZINC13540909 | 0.733 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC12360002 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12360703 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12503599 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC16546165 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…
|
| ZINC31977053 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC4806433 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC53683898 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586019 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC8586020 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586021 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8586022 | 0.729 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC138163261 | 0.721 | 490.2 Da LogP 0.01 TPSA 246.0 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ccn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)…
|
| ZINC62613203 | 0.721 | 492.2 Da LogP -0.89 TPSA 252.8 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@]…
|
| ZINC62613207 | 0.721 | 492.2 Da LogP -0.89 TPSA 252.8 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@@](…
|
| ZINC62613214 | 0.721 | 492.2 Da LogP -0.89 TPSA 252.8 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@@]…
|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC12503703 | 0.672 | 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 | 0.672 | 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…
|
| ZINC111485802 | 0.667 | 491.2 Da LogP -0.60 TPSA 258.9 | 2 viol. | ✓ Clean |
Nc1ncc2ncn([C@@H]3C[C@H](O)[C@H](CO[P@@](=O)(O)…
|
| ZINC13522804 | 0.661 | 332.2 Da LogP -0.71 TPSA 160.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@…
|
| ZINC3593496 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC39105 | 0.643 | 251.2 Da LogP -0.95 TPSA 119.3 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1
|
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.