Overview
Basic information about this protein and its source genome.
- Accession
- PA0054
- Gene
- PA0054 kptA
- Status
- annotated
- Amino acids
- 182
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 40.0
- Human E-value
- 7.43e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
5- GO:0003950 Catalysis of the reaction: NAD+ + (ADP-D-ribosyl)(n)-acceptor = nicotinamide + (ADP-D-ribosyl)(n+1)-acceptor.
- GO:0000215 Catalysis of the reaction: 2'-phospho-[ligated tRNA] + NAD+ = mature tRNA + ADP ribose 1'',2''-phosphate + nicotinamide + H2O. This reaction is the transfer of the splice junction 2-phosphate from ligated tRNA to NAD+ to produce ADP-ribose 1'-2' cyclic phosphate.
- GO:0008033 The process in which a pre-tRNA molecule is converted to a mature tRNA, ready for addition of an aminoacyl group.
- GO:0006388 Splicing of tRNA substrates via recognition of the folded RNA structure that brings the 5' and 3' splice sites into proximity and cleavage of the RNA at both the 3' and 5' splice sites by an endonucleolytic mechanism, followed by ligation of the exons.
- GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 8 | 172 | Pfam | PF01885 | RNA 2'-phosphotransferase, Tpt1 / KptA family |
| 8 | 172 | InterPro | IPR002745 | Phosphotransferase KptA/Tpt1 |
| 4 | 78 | Gene3D | G3DSA:1.10.10.970 | - |
| 4 | 78 | InterPro | IPR042080 | RNA 2'-phosphotransferase, N-terminal domain |
| 4 | 180 | PANTHER | PTHR12684 | PUTATIVE PHOSPHOTRANSFERASE |
| 4 | 180 | InterPro | IPR002745 | Phosphotransferase KptA/Tpt1 |
| 99 | 182 | Gene3D | G3DSA:3.20.170.30 | - |
| 99 | 182 | InterPro | IPR042081 | RNA 2'-phosphotransferase, C-terminal domain |
| 5 | 179 | Hamap | MF_00299 | Probable RNA 2'-phosphotransferase [kptA]. |
| 5 | 179 | InterPro | IPR022928 | RNA 2'-phosphotransferase KptA, putative |
| 9 | 179 | SUPERFAMILY | SSF56399 | ADP-ribosylation |
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
PA0054
|
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 | 0.782 |
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 |
|---|---|---|---|---|---|---|
| HQG | A3DJX6 | 639.3 Da LogP -3.17 TPSA 338.0 | 3 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL1497651 | Q5A7N4 | 6.85 | 346.4 Da LogP 1.06 TPSA 108.5 | ✓ Ro5 | Alert |
CC1=C(C#N)C(=O)N(C2CCS(=O)(=O)C2)C(=O)/C1=C\c1c…
|
| CHEMBL1431007 | Q5A7N4 | 6.56 | 436.8 Da LogP 3.87 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(C…
|
| REF | Q5A7N4 | 6.27 | 302.2 Da LogP 1.31 TPSA 141.3 | ✓ Ro5 | Alert |
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
|
| CHEMBL1517376 | Q5A7N4 | — | 281.3 Da LogP 3.17 TPSA 46.6 | ✓ Ro5 | ✓ Clean |
CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21
|
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 |
|---|---|---|---|---|---|
| ZINC15987984 | 1.000 | 436.8 Da LogP 3.87 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(C…
|
| ZINC2297348553 | 1.000 | 436.8 Da LogP 3.87 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)…
|
| ZINC3872446 | 1.000 | 302.2 Da LogP 1.31 TPSA 141.3 | ✓ Ro5 | Alert |
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
|
| ZINC73605 | 1.000 | 281.3 Da LogP 3.17 TPSA 46.6 | ✓ Ro5 | ✓ Clean |
CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21
|
| ZINC9259491 | 0.855 | 450.9 Da LogP 4.17 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(C…
|
| ZINC12360002 | 0.842 | 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 | 0.842 | 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 | 0.842 | 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 | 0.842 | 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 | 0.842 | 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 | 0.842 | 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 | 0.842 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586019 | 0.842 | 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 | 0.842 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586021 | 0.842 | 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 | 0.842 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC12417993 | 0.806 | 455.3 Da LogP 4.82 TPSA 75.7 | ✓ Ro5 | Alert |
COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O…
|
| ZINC5784243 | 0.793 | 318.2 Da LogP 1.02 TPSA 161.6 | ✓ Ro5 | Alert |
O=c1oc2c(O)c(O)c(O)c3c(=O)oc4c(O)c(O)cc1c4c23
|
| ZINC13898559 | 0.785 | 436.8 Da LogP 3.87 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(Cl)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=…
|
| ZINC13518964 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC1532515 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC1571045 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC1842158 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC2046931 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC2126310 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3201891 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC3201893 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3830180 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3860156 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3977897 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC4806442 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC8613167 | 0.772 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC36129170 | 0.765 | 447.4 Da LogP 3.12 TPSA 139.1 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([…
|
| ZINC15857609 | 0.762 | 416.4 Da LogP 3.52 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1…
|
| ZINC1159101 | 0.731 | 495.3 Da LogP 4.28 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(B…
|
| ZINC16115534 | 0.731 | 495.3 Da LogP 4.28 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(B…
|
| ZINC4096224 | 0.729 | 346.2 Da LogP -1.90 TPSA 191.9 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](N)(=O)O)[C@@…
|
| ZINC12503850 | 0.726 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141161066 | 0.726 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141163786 | 0.726 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC4228246 | 0.726 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OS(=O…
|
| ZINC1171808 | 0.714 | 425.3 Da LogP 4.81 TPSA 66.5 | ✓ Ro5 | ✓ Clean |
O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc…
|
| ZINC1008216 | 0.712 | 432.9 Da LogP 4.04 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc…
|
| ZINC1166039 | 0.712 | 420.8 Da LogP 4.16 TPSA 75.7 | ✓ Ro5 | ✓ Clean |
COc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1…
|
| ZINC13881547 | 0.712 | 400.4 Da LogP 3.82 TPSA 75.7 | ✓ Ro5 | ✓ Clean |
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1C
|
| ZINC15012603 | 0.712 | 432.9 Da LogP 4.04 TPSA 95.9 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc…
|
| ZINC105372833 | 0.712 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC105372837 | 0.712 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC17107643 | 0.712 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…
|
| ZINC204538551 | 0.712 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[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.