Overview
Basic information about this protein and its source genome.
- Accession
- VK055_1470
- Gene
- dhaB1 AIK80091.1
- Status
- annotated
- Amino acids
- 765
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 40.385
- Localization
- Cytoplasmic
- ColabFold pLDDT
- 95.77
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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)
4- GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0043722 Catalysis of the reaction: (4-hydroxyphenyl)acetate + H+ = 4-cresol + CO2.
- GO:0008861 Catalysis of the reaction: acetyl-CoA + formate = CoA + pyruvate.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 762 | CDD | cd01677 | PFL2_DhaB_BssA |
| 1 | 764 | Gene3D | G3DSA:3.20.70.20 | - |
| 646 | 747 | Pfam | PF01228 | Glycine radical |
| 646 | 747 | InterPro | IPR001150 | Glycine radical domain |
| 736 | 744 | ProSitePatterns | PS00850 | Glycine radical domain signature. |
| 736 | 744 | InterPro | IPR019777 | Formate C-acetyltransferase glycine radical, conserved site |
| 1 | 765 | NCBIfam | TIGR01774 | formate C-acetyltransferase/glycerol dehydratase family glycyl radical enzyme |
| 1 | 765 | InterPro | IPR010098 | Glycyl radical enzyme, PFL2/glycerol dehydratase family |
| 645 | 765 | ProSiteProfiles | PS51149 | Glycine radical domain profile. |
| 645 | 765 | InterPro | IPR001150 | Glycine radical domain |
| 3 | 637 | ProSiteProfiles | PS51554 | Pyruvate formate-lyase domain profile. |
| 3 | 637 | InterPro | IPR004184 | Pyruvate formate lyase domain |
| 1 | 626 | Pfam | PF02901 | Pyruvate formate lyase-like |
| 1 | 626 | InterPro | IPR004184 | Pyruvate formate lyase domain |
| 1 | 764 | PANTHER | PTHR43641 | FORMATE ACETYLTRANSFERASE 3-RELATED |
| 1 | 764 | SUPERFAMILY | SSF51998 | PFL-like glycyl radical enzymes |
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 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0C7KG97
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
VK055_1470
|
ColabFold | — | — | 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 |
|---|---|---|---|---|---|---|---|
| 7 | 0.258 |
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 | 5.32 | 0.251 | ||||||
| 2 | 4.28 | 0.176 | ||||||
| 3 | 3.89 | 0.153 | ||||||
| 4 | 2.28 | 0.057 | ||||||
| 5 | 1.86 | 0.037 |
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 |
|---|---|---|---|---|---|---|---|
| 26 | 0.825 | ||||||
| 8 | 0.22 |
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 | 6.15 | 0.306 | ||||||
| 2 | 5.88 | 0.288 | ||||||
| 3 | 5.23 | 0.243 | ||||||
| 4 | 3.09 | 0.103 | ||||||
| 5 | 2.08 | 0.047 |
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 |
|---|---|---|---|---|---|---|
| 8X3 | E5Y378 | 126.1 Da LogP -1.13 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(CS(=O)(=O)O)O
|
|
| BTL | Q30W70 | 102.2 Da LogP -0.11 TPSA 17.1 | ✓ Ro5 | ✓ Clean |
C[N+](C)(C)CC=O
|
|
| CHT | A0A0M3KL44 | 104.2 Da LogP -0.32 TPSA 20.2 | ✓ Ro5 | ✓ Clean |
C[N+](C)(C)CCO
|
|
| FUM | O68395 | 116.1 Da LogP -0.29 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(=C/C(=O)O)\C(=O)O
|
|
| HYP | A0A031WDE4 | 131.1 Da LogP -1.21 TPSA 69.6 | ✓ Ro5 | ✓ Clean |
C1[C@H](CN[C@@H]1C(=O)O)O
|
|
| MBN | O68395 | 92.1 Da LogP 2.00 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1
|
|
| MLI | Q30W70 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
|
| RP7 | Q30W70 | 113.2 Da LogP -0.15 TPSA 23.5 | ✓ Ro5 | ✓ Clean |
CN1CC=C[C@@H](C1)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 |
|---|---|---|---|---|---|
| ZINC1732765 | 0.625 | 246.3 Da LogP -2.20 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(CCO)CCS(=O)(=O)CCO
|
| ZINC1763010 | 0.563 | 218.3 Da LogP -0.46 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCS(=O)(=O)O
|
| ZINC5225211 | 0.563 | 204.2 Da LogP -0.85 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCS(=O)(=O)O
|
| ZINC169816223 | 0.556 | 441.2 Da LogP 3.37 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
|
| ZINC5113156 | 0.529 | 246.3 Da LogP 0.32 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCCCS(=O)(=O)O
|
| ZINC102483387 | 0.526 | 248.1 Da LogP 3.52 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc([Br+]c2ccccc2)cc1
|
| ZINC1095307 | 0.526 | 200.3 Da LogP 4.15 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc(Sc2ccccc2)cc1
|
| ZINC169816994 | 0.526 | 350.5 Da LogP 3.37 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
|
| ZINC169818667 | 0.526 | 378.6 Da LogP 3.99 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc([Si](c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)c…
|
| ZINC195766500 | 0.526 | 226.4 Da LogP 2.82 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
Cc1ccc([Si](C)(C)c2ccccc2)cc1
|
| ZINC1659810 | 0.524 | 213.3 Da LogP -1.84 TPSA 98.1 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN(CCO)CCO
|
| ZINC13541521 | 0.515 | 202.2 Da LogP -1.70 TPSA 98.7 | ✓ Ro5 | ✓ Clean |
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)O
|
| ZINC100473925 | 0.500 | 256.2 Da LogP -1.50 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C\C(=O)NCCNC(=O)/C=C\C(=O)O
|
| ZINC115955979 | 0.500 | 214.2 Da LogP -1.10 TPSA 93.1 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCOCCOCCO
|
| ZINC1679042 | 0.500 | 256.2 Da LogP -1.50 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/C(=O)NCCNC(=O)/C=C/C(=O)O
|
| ZINC1841234 | 0.500 | 224.3 Da LogP 3.06 TPSA 34.1 | ✓ Ro5 | Alert |
Cc1ccc(C(=O)C(=O)c2ccccc2)cc1
|
| ZINC39591801 | 0.500 | 258.3 Da LogP -1.08 TPSA 102.3 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCOCCOCCOCCO
|
| ZINC4866352 | 0.500 | 282.3 Da LogP -1.06 TPSA 115.2 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/C(=O)N1CCN(C(=O)/C=C/C(=O)O)CC1
|
| ZINC5113716 | 0.500 | 232.3 Da LogP -2.24 TPSA 108.7 | ✓ Ro5 | ✓ Clean |
O=S(=O)(CCO)CS(=O)(=O)CCO
|
| ZINC8616656 | 0.500 | 256.2 Da LogP -1.50 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)C=CC(=O)NCCNC(=O)C=CC(=O)O
|
| ZINC90623560 | 0.500 | 256.2 Da LogP -1.50 TPSA 132.8 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C\C(=O)NCCNC(=O)/C=C/C(=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.