Protein target profile
HT085_RS00315
formate--tetrahydrofolate ligase
Target candidate with partial support; inspect missing evidence before prioritizing.
Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.
Main supporting evidence
Terms and data sources used on this page
PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.
AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.
ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.
pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.
FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.
Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.
PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.
ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.
ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.
LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.
Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.
DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.
Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.
EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.
KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.
Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.
Prioritization evidence
Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.
Off-target risk
- Human off-target
- Hit
- Gut microbiome off-target
- Hit
Essentiality
- Essential (DEG)
- Y
Localization
- Localization
- Cytoplasmic
Binding-site evidence
The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.
Sequence
Primary amino-acid sequence viewer.
MSFKTDAETAQSSTMRPIGEIAAKLGLNVDNIEPYGHYKAKINPAEAFKLPQKQGRLILVTAINPTPAGEGKTTVTIGLADALRHIGKDSVIALREPSLGPVFGVKGGAAGGGYAQVLPMEDINLHFTGDFHAIGAANNLLAAMLDNHIYQGNELNIDPKRVLWRRVVDMNDRQLRNIIDGMGKPVDGVMRPDGFDITVASEVMAVFCLAKDISDLKERFGNILVAYAKDGSPVYAKDLKAHGAMAALLKDAIKPNLVQTIEGTPAFVHGGPFANIAHGCNSVTATRLAKHLADYAVTEAGFGADLGAEKFCDIKCRLAGLKPDAAVVVATVRALKYNGGVERANLGEENLEALAKGLPNLLKHISNLKNVFGLPVVVALNRFVSDSDAELAMIEKACAEHGVEVSLTEVWGKGGAGGADLARKVVNAIDNQPNNFGFAYDVELGIKDKIRAIAQKVYGAEDVDFSAEASAEIASLEKLGLDKMPICMAKTQYSLSDNAKLLGCPEGFRITVRGITVSAGAGFIVALCGNMMKMPGLPKVPAAEKIDVDEHGVIHGLF
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
3- GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
- GO:0004329 Catalysis of the reaction: ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyltetrahydrofolate.
- GO:0035999 The chemical reactions and pathways by which one-carbon (C1) units are transferred between tetrahydrofolate molecules, to synthesize other tetrahydrofolate molecules.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 5 | 427 | Gene3D | G3DSA:3.40.50.300 | - |
| 5 | 427 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 445 | 534 | Gene3D | G3DSA:3.10.410.10 | Formyltetrahydrofolate synthetase, domain 3 |
| 130 | 248 | Gene3D | G3DSA:3.30.1510.10 | - |
| 329 | 340 | ProSitePatterns | PS00722 | Formate--tetrahydrofolate ligase signature 2. |
| 329 | 340 | InterPro | IPR020628 | Formate-tetrahydrofolate ligase, FTHFS, conserved site |
| 1 | 509 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 445 | 534 | FunFam | G3DSA:3.10.410.10:FF:000001 | Putative formate--tetrahydrofolate ligase |
| 4 | 558 | Pfam | PF01268 | Formate--tetrahydrofolate ligase |
| 4 | 558 | InterPro | IPR000559 | Formate-tetrahydrofolate ligase, FTHFS |
| 130 | 248 | FunFam | G3DSA:3.30.1510.10:FF:000001 | Formate--tetrahydrofolate ligase |
| 3 | 558 | Hamap | MF_01543 | Formate--tetrahydrofolate ligase [fhs]. |
| 3 | 558 | InterPro | IPR000559 | Formate-tetrahydrofolate ligase, FTHFS |
| 104 | 114 | ProSitePatterns | PS00721 | Formate--tetrahydrofolate ligase signature 1. |
| 104 | 114 | InterPro | IPR020628 | Formate-tetrahydrofolate ligase, FTHFS, conserved site |
| 6 | 556 | SUPERFAMILY | SSF52540 | P-loop containing nucleoside triphosphate hydrolases |
| 6 | 556 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 530 | 558 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 18 | 557 | CDD | cd00477 | FTHFS |
| 18 | 557 | InterPro | IPR000559 | Formate-tetrahydrofolate ligase, FTHFS |
| 510 | 529 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
3D structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.
How colors and pocket overlays are used
Pocket details Inspect a specific pocket, or open the full viewer
- Method
- -
- Score
- -
- Visible layer
- -
- Residues
- -
- Pocket properties
- -
Selecting a pocket opens its details and centers the viewer without clearing other active layers. Use Focus this pocket when you want to hide the rest; use Surface for the wider residue environment.
Binding pockets · FPocket
Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Binding pockets · P2Rank
Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
All structural evidence
Structural evidence
0 + 1Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold DB
HT085_RS00315
|
AlphaFold DB | — | — | full sequence | — | Viewing |
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.
Structural and bioactivity evidence are both available for this target.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, 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 |
|---|---|---|---|---|---|---|
| 21V RCSB PDB | P11586 | 443.5 Da LogP 0.62 TPSA 187.5 | 1 viol. | ✓ Clean |
c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C…
|
|
| FLC RCSB PDB | B7L0A5 | 189.1 Da LogP -5.25 TPSA 140.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
|
|
| FOL RCSB PDB | Q2RM91 | 441.4 Da LogP -0.04 TPSA 213.3 | 1 viol. | ✓ Clean |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c…
|
|
| L37 RCSB PDB | P11586 | 433.4 Da LogP 0.04 TPSA 242.9 | 1 viol. | ✓ Clean |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2…
|
|
| TAR RCSB PDB | K7SWE7 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
|
|
| TLA RCSB PDB | B7L0A5 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
|
|
| TOE RCSB PDB | Q2RM91 | 164.2 Da LogP -0.34 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCO
|
|
| XPO RCSB PDB | Q2RM91 | 126.0 Da LogP -0.75 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
C(=O)OP(=O)(O)O
|
|
| ZD9 RCSB PDB | Q2RM91 | 241.3 Da LogP 1.61 TPSA 57.8 | ✓ Ro5 | ✓ Clean |
CC#CNCc1cc2c(cc1C)N=C(NC2=O)C
|
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 |
|---|---|---|---|---|---|---|
| L34 ChEMBL | P11586 | 7.02 ~95.5 nM | 471.4 Da LogP 0.05 TPSA 211.3 | 1 viol. | ✓ Clean |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3…
|
| CHEMBL4463968 ChEMBL | P11586 | 6.24 ~575.4 nM | 608.6 Da LogP 3.71 TPSA 112.4 | 1 viol. | ✓ Clean |
Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C…
|
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 |
|---|---|---|---|---|---|
| ZINC1580161 ZINC | 1.000 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 ZINC | 1.000 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 ZINC | 1.000 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 ZINC | 1.000 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 ZINC | 1.000 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 ZINC | 1.000 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5997860 ZINC | 1.000 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC142478298 ZINC | 0.855 | 455.4 Da LogP 0.04 TPSA 202.3 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(NCc2cnc3[nH]c…
|
| ZINC8626487 ZINC | 0.839 | 455.4 Da LogP -0.00 TPSA 213.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(…
|
| ZINC199894078 ZINC | 0.781 | 469.4 Da LogP -0.62 TPSA 230.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](C[C@@H](C=O)…
|
| ZINC199894106 ZINC | 0.781 | 469.4 Da LogP -0.62 TPSA 230.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@H](C[C@@H](C=O)C…
|
| ZINC199894133 ZINC | 0.781 | 469.4 Da LogP -0.62 TPSA 230.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](C[C@H](C=O)C…
|
| ZINC199894162 ZINC | 0.781 | 469.4 Da LogP -0.62 TPSA 230.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@H](C[C@H](C=O)C(…
|
| ZINC4261891 ZINC | 0.766 | 441.4 Da LogP -0.04 TPSA 213.3 | 1 viol. | ✓ Clean |
Nc1nc2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c…
|
| ZINC1698171 ZINC | 0.762 | 442.4 Da LogP -0.33 TPSA 207.2 | 1 viol. | ✓ Clean |
O=C(O)CC[C@H](NC(=O)c1ccc(NCc2cnc3[nH]c(=O)[nH]…
|
| ZINC575419714 ZINC | 0.727 | 312.4 Da LogP 0.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCSCCOCCOCCO
|
| ZINC2034997 ZINC | 0.723 | 441.4 Da LogP -0.04 TPSA 213.3 | 1 viol. | ✓ Clean |
Nc1nc(=O)c2nc(NCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O…
|
| ZINC17421394 ZINC | 0.708 | 442.4 Da LogP 0.08 TPSA 207.5 | 1 viol. | ✓ Clean |
O=C(O)CC[C@@H](NC(=O)c1ccc(NCc2cnc3nc(O)[nH]c(=…
|
| ZINC115163232 ZINC | 0.700 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCCO
|
| ZINC258837490 ZINC | 0.700 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCCO
|
| ZINC1567048 ZINC | 0.697 | 440.4 Da LogP 0.56 TPSA 200.4 | 1 viol. | ✓ Clean |
Nc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)…
|
| ZINC5385480 ZINC | 0.696 | 469.4 Da LogP -0.49 TPSA 221.6 | ✓ Ro5 | ✓ Clean |
Nc1nc(=O)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)…
|
| ZINC12359024 ZINC | 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 ZINC | 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 ZINC | 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 ZINC | 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
|
| ZINC1587572 ZINC | 0.692 | 440.4 Da LogP 0.24 TPSA 219.3 | 1 viol. | ✓ Clean |
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)…
|
| ZINC2013424 ZINC | 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
|
| ZINC2036915 ZINC | 0.692 | 440.4 Da LogP 0.24 TPSA 219.3 | 1 viol. | ✓ Clean |
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O…
|
| ZINC3581021 ZINC | 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 ZINC | 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 ZINC | 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 ZINC | 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
|
| ZINC12501520 ZINC | 0.688 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1692489 ZINC | 0.688 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC3874716 ZINC | 0.688 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 ZINC | 0.688 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 ZINC | 0.688 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC4530388 ZINC | 0.688 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC5178829 ZINC | 0.688 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 ZINC | 0.688 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5701172 ZINC | 0.688 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 ZINC | 0.688 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| ZINC8577218 ZINC | 0.682 | 441.4 Da LogP 0.37 TPSA 213.5 | 1 viol. | ✓ Clean |
Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O…
|
| ZINC8585850 ZINC | 0.682 | 441.4 Da LogP 0.37 TPSA 213.5 | 1 viol. | ✓ Clean |
Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)…
|
| ZINC33753214 ZINC | 0.671 | 455.4 Da LogP 0.04 TPSA 202.3 | ✓ Ro5 | ✓ Clean |
COC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=…
|
| ZINC575432150 ZINC | 0.667 | 344.4 Da LogP -0.89 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCS(=O)(=O)CCOCCOCCO
|
| ZINC1857524240 ZINC | 0.652 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
COCCNCCOCCOCCO
|
| ZINC17380277 ZINC | 0.648 | 469.5 Da LogP 0.39 TPSA 213.3 | 1 viol. | ✓ Clean |
Nc1nc2ncc(CCCNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O…
|
| ZINC4826295 ZINC | 0.648 | 469.5 Da LogP 0.39 TPSA 213.3 | 1 viol. | ✓ Clean |
Nc1nc2ncc(CCCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=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.