Amino acids
363
Annotations
7
Features
25
PDB binders
3
Druggability
0.816
Overview
Basic information about this protein and its source genome.
- Accession
- PA1681
- Gene
- aroC PA1681
- Status
- annotated
- Amino acids
- 363
- Structure source
- AlphaFold
EC
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0004107 Catalysis of the reaction: 5-O-(1-carboxyvinyl)-3-phosphoshikimate = chorismate + phosphate.
GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents.
GO:0009073 The chemical reactions and pathways resulting in the formation of aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan).
GO:0009423 The chemical reactions and pathways resulting in the formation of the unsymmetrical ether derived from phosphoenolpyruvate and 5-phosphoshikimic acid formed as an intermediate in the biosynthesis of aromatic amino acids and many other compounds.
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- 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.
FPocket
0.816
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
6 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0004107 Catalysis of the reaction: 5-O-(1-carboxyvinyl)-3-phosphoshikimate = chorismate + phosphate.
- GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
- GO:0008652 The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents.
- GO:0009073 The chemical reactions and pathways resulting in the formation of aromatic amino acid family, amino acids with aromatic ring (phenylalanine, tyrosine, tryptophan).
- GO:0009423 The chemical reactions and pathways resulting in the formation of the unsymmetrical ether derived from phosphoenolpyruvate and 5-phosphoshikimic acid formed as an intermediate in the biosynthesis of aromatic amino acids and many other compounds.
Sequence Features
Domain/signature hits from InterPro and related databases.
25 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 3 | 359 | PIRSF | PIRSF001456 | Chorismate_synth |
| 3 | 359 | InterPro | IPR000453 | Chorismate synthase |
| 37 | 61 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 1 | 360 | FunFam | G3DSA:3.60.150.10:FF:000001 | Chorismate synthase |
| 10 | 344 | Pfam | PF01264 | Chorismate synthase |
| 10 | 344 | InterPro | IPR000453 | Chorismate synthase |
| 4 | 354 | SUPERFAMILY | SSF103263 | Chorismate synthase, AroC |
| 4 | 354 | InterPro | IPR035904 | Chorismate synthase AroC superfamily |
| 10 | 351 | Hamap | MF_00300 | Chorismate synthase [aroC]. |
| 10 | 351 | InterPro | IPR000453 | Chorismate synthase |
| 124 | 140 | ProSitePatterns | PS00788 | Chorismate synthase signature 2. |
| 124 | 140 | InterPro | IPR020541 | Chorismate synthase, conserved site |
| 39 | 61 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 4 | 356 | PANTHER | PTHR21085 | CHORISMATE SYNTHASE |
| 4 | 356 | InterPro | IPR000453 | Chorismate synthase |
| 16 | 31 | ProSitePatterns | PS00787 | Chorismate synthase signature 1. |
| 16 | 31 | InterPro | IPR020541 | Chorismate synthase, conserved site |
| 318 | 334 | ProSitePatterns | PS00789 | Chorismate synthase signature 3. |
| 318 | 334 | InterPro | IPR020541 | Chorismate synthase, conserved site |
| 10 | 341 | CDD | cd07304 | Chorismate_synthase |
| 10 | 341 | InterPro | IPR000453 | Chorismate synthase |
| 10 | 349 | NCBIfam | TIGR00033 | chorismate synthase |
| 10 | 349 | InterPro | IPR000453 | Chorismate synthase |
| 1 | 361 | Gene3D | G3DSA:3.60.150.10 | Chorismate synthase AroC |
| 1 | 361 | InterPro | IPR035904 | Chorismate synthase AroC superfamily |
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...
Legend
High
Medium
Low
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
PA1681
|
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 |
|---|---|---|---|---|---|---|---|
| 11 | 0.816 | ||||||
| 7 | 0.459 | ||||||
| 2 | 0.334 |
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.
64 records
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 |
|---|---|---|---|---|---|---|
| EPS | P0A2Y6 | 324.2 Da LogP -0.78 TPSA 170.8 | ✓ Ro5 | ✓ Clean |
C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)…
|
|
| NCA | P9WPY1 | 122.1 Da LogP 0.18 TPSA 56.0 | ✓ Ro5 | ✓ Clean |
c1cc(cnc1)C(=O)N
|
|
| TLA | D0C7F3 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@@H]([C@H](C(=O)O)O)(C(=O)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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL335191 | P0A2Y6 | 6.66 | 356.4 Da LogP 3.99 TPSA 96.2 | ✓ Ro5 | Alert |
CCCCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL135231 | P0A2Y6 | 6.50 | 370.4 Da LogP 4.38 TPSA 96.2 | ✓ Ro5 | Alert |
CCCCCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL133135 | P0A2Y6 | 6.35 | 342.3 Da LogP 3.60 TPSA 96.2 | ✓ Ro5 | Alert |
CCCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL135230 | P0A2Y6 | 6.29 | 328.3 Da LogP 3.21 TPSA 96.2 | ✓ Ro5 | Alert |
CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL132701 | P0A2Y6 | 6.24 | 342.3 Da LogP 3.45 TPSA 96.2 | ✓ Ro5 | Alert |
CC(C)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL135541 | P0A2Y6 | 6.19 | 400.4 Da LogP 3.14 TPSA 122.5 | ✓ Ro5 | Alert |
CCOC(=O)CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O…
|
| CHEMBL134100 | P0A2Y6 | 6.10 | 270.2 Da LogP 2.42 TPSA 87.0 | ✓ Ro5 | Alert |
O=C1/C(=C\c2ccccc2O)Oc2c1ccc(O)c2O
|
| CHEMBL134761 | P0A2Y6 | 6.10 | 300.3 Da LogP 2.43 TPSA 96.2 | ✓ Ro5 | Alert |
COc1cccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c1O
|
| CHEMBL336984 | P0A2Y6 | 6.07 | 358.3 Da LogP 2.57 TPSA 116.5 | ✓ Ro5 | Alert |
O=C1/C(=C\c2ccc(OCCCCO)cc2O)Oc2c1ccc(O)c2O
|
| CHEMBL132705 | P0A2Y6 | 6.00 | 328.3 Da LogP 3.21 TPSA 96.2 | ✓ Ro5 | Alert |
CC(C)Oc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1
|
| CHEMBL336641 | P0A2Y6 | 6.00 | 376.4 Da LogP 4.00 TPSA 96.2 | ✓ Ro5 | Alert |
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2O)Oc2c1ccc(O)c2O
|
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 |
|---|---|---|---|---|---|
| ZINC72238401 | 0.816 | 272.2 Da LogP 2.85 TPSA 66.8 | ✓ Ro5 | Alert |
O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2O
|
| ZINC1592410 | 0.708 | 212.2 Da LogP 1.54 TPSA 59.9 | ✓ Ro5 | Alert |
O=C(C(=O)c1cccnc1)c1cccnc1
|
| ZINC12359024 | 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 | 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 | 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 | 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
|
| ZINC2013424 | 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
|
| ZINC3581021 | 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 | 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 | 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 | 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
|
| ZINC26461501 | 0.680 | 312.3 Da LogP 3.33 TPSA 65.0 | ✓ Ro5 | ✓ Clean |
COc1cccc(/C=C2\Oc3c(ccc(O)c3C)C2=O)c1OC
|
| ZINC26461466 | 0.673 | 282.3 Da LogP 3.33 TPSA 55.8 | ✓ Ro5 | ✓ Clean |
COc1ccccc1/C=C1\Oc2c(ccc(O)c2C)C1=O
|
| ZINC16718957 | 0.660 | 284.3 Da LogP 2.72 TPSA 76.0 | ✓ Ro5 | ✓ Clean |
COc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1O
|
| ZINC3870237 | 0.659 | 254.1 Da LogP -1.40 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1
|
| ZINC32501378 | 0.653 | 314.3 Da LogP 2.73 TPSA 85.2 | ✓ Ro5 | Alert |
COc1ccc(/C=C2\Oc3c(ccc(O)c3O)C2=O)cc1OC
|
| ZINC116431 | 0.636 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc(NC(=O)c2cccnc2)cc1
|
| ZINC14725429 | 0.634 | 286.2 Da LogP 2.13 TPSA 107.2 | ✓ Ro5 | Alert |
O=C1/C(=C/c2ccc(O)c(O)c2)Oc2c1ccc(O)c2O
|
| ZINC72238411 | 0.628 | 260.3 Da LogP 2.78 TPSA 66.8 | ✓ Ro5 | Alert |
O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2O
|
| ZINC4108033 | 0.627 | 284.3 Da LogP 2.72 TPSA 76.0 | ✓ Ro5 | ✓ Clean |
COc1cccc(/C=C2\Oc3ccc(O)cc3C2=O)c1O
|
| ZINC13487310 | 0.619 | 272.2 Da LogP 2.85 TPSA 66.8 | ✓ Ro5 | Alert |
O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2O
|
| ZINC10030294 | 0.618 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cccc(NC(=O)c2cccnc2)c1
|
| ZINC8379324 | 0.618 | 284.3 Da LogP 0.53 TPSA 128.2 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1
|
| ZINC14443221 | 0.615 | 238.2 Da LogP 3.01 TPSA 46.5 | ✓ Ro5 | ✓ Clean |
O=C1/C(=C/c2ccccc2O)Oc2ccccc21
|
| ZINC26461460 | 0.614 | 270.3 Da LogP 3.46 TPSA 46.5 | ✓ Ro5 | ✓ Clean |
Cc1c(O)ccc2c1O/C(=C\c1ccccc1F)C2=O
|
| ZINC100083979 | 0.607 | 226.2 Da LogP 1.93 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1cccnc1
|
| ZINC20610608 | 0.607 | 355.4 Da LogP 3.09 TPSA 68.2 | ✓ Ro5 | Alert |
COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c1OC
|
| ZINC95951757 | 0.607 | 240.3 Da LogP 0.50 TPSA 102.5 | ✓ Ro5 | ✓ Clean |
N/C(=N\N=C(/N)c1cccnc1)c1cccnc1
|
| ZINC13653597 | 0.600 | 325.4 Da LogP 3.08 TPSA 59.0 | ✓ Ro5 | Alert |
COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O
|
| ZINC1698713 | 0.600 | 272.3 Da LogP 1.49 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC36065966 | 0.600 | 325.4 Da LogP 3.08 TPSA 59.0 | ✓ Ro5 | Alert |
COc1ccccc1/C=C1/Oc2c(ccc(O)c2CN(C)C)C1=O
|
| ZINC72238404 | 0.600 | 272.2 Da LogP 2.85 TPSA 66.8 | ✓ Ro5 | Alert |
O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2O
|
| ZINC935987 | 0.595 | 254.2 Da LogP 2.71 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
O=C1/C(=C\c2ccccc2O)Oc2cc(O)ccc21
|
| ZINC1560405156 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC1560405157 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC138692545 | 0.586 | 252.3 Da LogP 1.93 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCOC(=O)CCCOc1ccc(C=O)c(O)c1
|
| ZINC20611293 | 0.586 | 383.4 Da LogP 3.87 TPSA 68.2 | ✓ Ro5 | Alert |
CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1OC)C2=O
|
| ZINC20624382 | 0.579 | 353.4 Da LogP 3.86 TPSA 59.0 | ✓ Ro5 | Alert |
CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC)C2=O
|
| ZINC85783 | 0.578 | 297.3 Da LogP 2.78 TPSA 70.0 | ✓ Ro5 | Alert |
CN(C)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)cc1
|
| ZINC1676033 | 0.577 | 298.3 Da LogP 3.03 TPSA 65.0 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2/Oc3c(OC)cccc3C2=O)ccc1O
|
| ZINC17302192 | 0.577 | 298.3 Da LogP 3.03 TPSA 65.0 | ✓ Ro5 | ✓ Clean |
COc1cc(/C=C2\Oc3c(OC)cccc3C2=O)ccc1O
|
| ZINC100077468 | 0.567 | 225.2 Da LogP 2.54 TPSA 47.0 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1ccccc1
|
| ZINC20611362 | 0.567 | 381.4 Da LogP 3.62 TPSA 68.2 | ✓ Ro5 | Alert |
COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c1OC
|
| ZINC20648429 | 0.567 | 411.5 Da LogP 4.65 TPSA 68.2 | ✓ Ro5 | Alert |
CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1OC)C2=O
|
| ZINC101814612 | 0.563 | 225.2 Da LogP 2.86 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(/C=C(\O)c1cccnc1)c1ccccc1
|
| ZINC1997173 | 0.563 | 286.3 Da LogP 1.88 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCCCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC13655607 | 0.559 | 381.5 Da LogP 4.64 TPSA 59.0 | ✓ Ro5 | Alert |
CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC)C2=O
|
| ZINC20624283 | 0.559 | 351.4 Da LogP 3.61 TPSA 59.0 | ✓ Ro5 | Alert |
COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC2)C1=O
|
| ZINC489656 | 0.558 | 254.2 Da LogP 2.71 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
O=C1/C(=C/c2ccccc2O)Oc2ccc(O)cc21
|
| ZINC20611576 | 0.557 | 409.5 Da LogP 4.40 TPSA 68.2 | ✓ Ro5 | Alert |
COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c1OC
|
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.