Overview
Basic information about this protein and its source genome.
- Accession
- PA3735
- Gene
- PA3735 thrC
- Status
- annotated
- Amino acids
- 469
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 36.508
- Human E-value
- 4.31e-19
- 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.
MRYISTRGQAPALNFEDVLLAGLASDGGLYVPENLPRFTLEEIASWVGLPYHELAFRVMRPFVAGSIADADFKKILEETYGVFAHDAVAPLRQLNGNEWVLELFHGPTLAFKDFALQLLGRLLDHVLAKRGERVVIMGATSGDTGSAAIEGCRRCDNVDIFIMHPHNRVSEVQRRQMTTILGDNIHNIAIEGNFDDCQEMVKASFADQGFLKGTRLVAVNSINWARIMAQIVYYFHAALQLGAPHRSVAFSVPTGNFGDIFAGYLARNMGLPVSQLIVATNRNDILHRFMSGNRYDKDTLHPSLSPSMDIMVSSNFERLLFDLHGRNGKAVAELLDAFKASGKLSVEDQRWTEARKLFDSLAVSDEQTCETIAEVYRSSGELLDPHTAIGVRAARECRRSLSVPMVTLGTAHPVKFPEAVEKAGIGQAPALPAHLADLFEREERCTVLPNELAKVQAFVSQHGNRGKPL
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
4- GO:0030170 Binding to pyridoxal 5' phosphate, 3-hydroxy-5-(hydroxymethyl)-2-methyl4-pyridine carboxaldehyde 5' phosphate, the biologically active form of vitamin B6.
- GO:0004795 Catalysis of the reaction: O-phospho-L-homoserine + H2O = L-threonine + phosphate.
- GO:0009088 The chemical reactions and pathways resulting in the formation of L-threonine (2-amino-3-hydroxybutyric acid), a polar, uncharged, essential amino acid found in peptide linkage in proteins.
- GO:0006520 The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 458 | CDD | cd01560 | Thr-synth_2 |
| 108 | 455 | Gene3D | G3DSA:3.40.50.1100 | - |
| 108 | 455 | InterPro | IPR036052 | Tryptophan synthase beta chain-like, PALP domain superfamily |
| 2 | 80 | Pfam | PF14821 | Threonine synthase N terminus |
| 2 | 80 | InterPro | IPR029144 | Threonine synthase, N-terminal |
| 92 | 398 | Pfam | PF00291 | Pyridoxal-phosphate dependent enzyme |
| 92 | 398 | InterPro | IPR001926 | Tryptophan synthase beta chain-like, PALP domain |
| 1 | 86 | FunFam | G3DSA:3.90.1380.10:FF:000002 | Threonine synthase |
| 1 | 86 | Gene3D | G3DSA:3.90.1380.10 | - |
| 1 | 86 | InterPro | IPR037158 | Threonine synthase, N-terminal domain superfamily |
| 67 | 423 | NCBIfam | TIGR00260 | threonine synthase |
| 67 | 423 | InterPro | IPR004450 | Threonine synthase-like |
| 90 | 431 | Gene3D | G3DSA:3.40.50.1100 | - |
| 90 | 431 | InterPro | IPR036052 | Tryptophan synthase beta chain-like, PALP domain superfamily |
| 1 | 465 | PANTHER | PTHR42690 | THREONINE SYNTHASE FAMILY MEMBER |
| 1 | 461 | SUPERFAMILY | SSF53686 | Tryptophan synthase beta subunit-like PLP-dependent enzymes |
| 1 | 461 | InterPro | IPR036052 | Tryptophan synthase beta chain-like, PALP domain superfamily |
| 215 | 431 | FunFam | G3DSA:3.40.50.1100:FF:000052 | Threonine synthase |
| 102 | 116 | ProSitePatterns | PS00165 | Serine/threonine dehydratases pyridoxal-phosphate attachment site. |
| 102 | 116 | InterPro | IPR000634 | Serine/threonine dehydratase, pyridoxal-phosphate-binding site |
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
PA3735
|
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 |
|---|---|---|---|---|---|---|---|
| 3 | 0.706 |
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 |
|---|---|---|---|---|---|---|
| BO3 | Q2SWH9 | 61.8 Da LogP -2.05 TPSA 60.7 | ✓ Ro5 | ✓ Clean |
B(O)(O)O
|
|
| F0G | A8HUA2 | 318.2 Da LogP 0.60 TPSA 149.5 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O
|
|
| KPA | P00934 | 196.1 Da LogP -0.40 TPSA 111.9 | ✓ Ro5 | ✓ Clean |
C(CC(=O)C(=O)O)CP(=O)(O)O
|
|
| LJS | A8HUA2 | 424.2 Da LogP 0.52 TPSA 206.2 | 1 viol. | ✓ Clean |
CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1…
|
|
| MLA | Q2SWH9 | 104.1 Da LogP -0.45 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)O)C(=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 |
|---|---|---|---|---|---|
| ZINC1532514 | 0.646 | 247.1 Da LogP 0.52 TPSA 117.0 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(C=O)c1O
|
| ZINC2114966 | 0.643 | 332.2 Da LogP 0.99 TPSA 149.5 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(/C=N/CCCC(=O)O)c1O
|
| ZINC6824902 | 0.576 | 401.2 Da LogP 3.22 TPSA 112.2 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(/C=N/c2ccccc2Br)c1O
|
| ZINC1656021 | 0.551 | 233.2 Da LogP 1.01 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(C)c1O
|
| ZINC111474396 | 0.544 | 280.3 Da LogP 1.51 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
CC[C@H](C)[C@H](/N=C\c1c(CO)cnc(C)c1O)C(=O)O
|
| ZINC2527980 | 0.544 | 280.3 Da LogP 1.51 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
CC[C@H](C)[C@H](/N=C/c1c(CO)cnc(C)c1O)C(=O)O
|
| ZINC1532708 | 0.538 | 248.2 Da LogP 0.16 TPSA 125.9 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(CN)c1O
|
| ZINC39337611 | 0.538 | 266.3 Da LogP 2.76 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCP(=O)(O)O
|
| ZINC45074620 | 0.538 | 336.4 Da LogP 4.71 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCCCCCCP(=O)(O)O
|
| ZINC2381636 | 0.524 | 218.1 Da LogP 0.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCP(=O)(O)O
|
| ZINC31962397 | 0.524 | 204.1 Da LogP -0.27 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCP(=O)(O)O
|
| ZINC1532705 | 0.519 | 249.2 Da LogP 0.20 TPSA 120.1 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(CO)c1O
|
| ZINC2527979 | 0.509 | 296.3 Da LogP 0.32 TPSA 140.3 | ✓ Ro5 | ✓ Clean |
Cc1ncc(CO)c(/C=N/[C@@H](CCC(=O)O)C(=O)O)c1O
|
| ZINC138079998 | 0.500 | 212.0 Da LogP 1.41 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C=C(I)CC(=O)O
|
| ZINC2381412 | 0.500 | 246.1 Da LogP 0.90 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCP(=O)(O)O
|
| ZINC2569998 | 0.500 | 232.1 Da LogP 0.51 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCP(=O)(O)O
|
| ZINC34227522 | 0.500 | 302.2 Da LogP 2.46 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCCCP(=O)(O)O
|
| ZINC34744001 | 0.500 | 274.2 Da LogP 1.68 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCP(=O)(O)O
|
| ZINC38594934 | 0.500 | 330.3 Da LogP 3.24 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CCCCCCCCCCCCP(=O)(O)O
|
| ZINC9944295 | 0.500 | 400.4 Da LogP 1.30 TPSA 149.4 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(/C=N/NC(=S)NCc2ccco2)c1O
|
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.