Amino acids
453
Annotations
5
Features
20
PDB binders
5
Druggability
0.622
Overview
Basic information about this protein and its source genome.
- Accession
- PA1758
- Gene
- PA1758 pabB
- Status
- annotated
- Amino acids
- 453
- Structure source
- AlphaFold
EC
GO
GO:0046820 Catalysis of the reaction: L-glutamine + chorismate = 4-amino-4-deoxychorismate + L-glutamate. It is composed of two enzymatic activities (which may be present on one or two polypeptides); the first is a glutaminase which yields ammonia from glutamine, releasing glutamate. The ammonia is used by the second activity which catalyzes the amination of chorismate to form 4-amino-4-deoxychorismate.
GO:0009396 The chemical reactions and pathways resulting in the formation of folic acid and its derivatives.
GO:0000162 The chemical reactions and pathways resulting in the formation of L-tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid; L-tryptophan is synthesized from chorismate via anthranilate.
GO:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones.
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
0.622
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
4 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
4- GO:0046820 Catalysis of the reaction: L-glutamine + chorismate = 4-amino-4-deoxychorismate + L-glutamate. It is composed of two enzymatic activities (which may be present on one or two polypeptides); the first is a glutaminase which yields ammonia from glutamine, releasing glutamate. The ammonia is used by the second activity which catalyzes the amination of chorismate to form 4-amino-4-deoxychorismate.
- GO:0009396 The chemical reactions and pathways resulting in the formation of folic acid and its derivatives.
- GO:0000162 The chemical reactions and pathways resulting in the formation of L-tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid; L-tryptophan is synthesized from chorismate via anthranilate.
- GO:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones.
Sequence Features
Domain/signature hits from InterPro and related databases.
20 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 5 | 444 | SUPERFAMILY | SSF56322 | ADC synthase |
| 5 | 444 | InterPro | IPR005801 | ADC synthase |
| 4 | 449 | Gene3D | G3DSA:3.60.120.10 | Anthranilate synthase |
| 4 | 449 | InterPro | IPR005801 | ADC synthase |
| 392 | 406 | PRINTS | PR00095 | Anthranilate synthase component I signature |
| 392 | 406 | InterPro | IPR019999 | Anthranilate synthase component I-like |
| 283 | 296 | PRINTS | PR00095 | Anthranilate synthase component I signature |
| 283 | 296 | InterPro | IPR019999 | Anthranilate synthase component I-like |
| 297 | 310 | PRINTS | PR00095 | Anthranilate synthase component I signature |
| 297 | 310 | InterPro | IPR019999 | Anthranilate synthase component I-like |
| 377 | 391 | PRINTS | PR00095 | Anthranilate synthase component I signature |
| 377 | 391 | InterPro | IPR019999 | Anthranilate synthase component I-like |
| 182 | 435 | Pfam | PF00425 | chorismate binding enzyme |
| 182 | 435 | InterPro | IPR015890 | Chorismate-utilising enzyme, C-terminal |
| 27 | 444 | PANTHER | PTHR11236 | AMINOBENZOATE/ANTHRANILATE SYNTHASE |
| 27 | 444 | InterPro | IPR019999 | Anthranilate synthase component I-like |
| 18 | 138 | Pfam | PF04715 | Anthranilate synthase component I, N terminal region |
| 18 | 138 | InterPro | IPR006805 | Anthranilate synthase component I, N-terminal |
| 93 | 439 | NCBIfam | TIGR00553 | aminodeoxychorismate synthase component I |
| 93 | 439 | InterPro | IPR005802 | Aminodeoxychorismate synthase, component I |
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...
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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
PA1758
|
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 |
|---|---|---|---|---|---|---|---|
| 5 | 0.622 |
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.
56 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 |
|---|---|---|---|---|---|---|
| 0GA | P9WFX2 | 238.2 Da LogP 1.46 TPSA 104.1 | ✓ Ro5 | ✓ Clean |
C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O
|
|
| 15P | B2FR92 | 1529.8 Da LogP 0.17 TPSA 334.1 | 2 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…
|
|
| BEZ | A0QX93 | 122.1 Da LogP 1.38 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C(=O)O
|
|
| CPS | B2FR92 | 614.9 Da LogP 2.88 TPSA 147.0 | 1 viol. | ✓ Clean |
C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C…
|
|
| PYR | A0QX93 | 88.1 Da LogP -0.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CC(=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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL216545 | P00898 | — | 196.2 Da LogP 0.85 TPSA 83.8 | ✓ Ro5 | ✓ Clean |
O=C(O)COc1cccc(C(=O)O)c1
|
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 | 1.000 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 1.000 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 1.000 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 | 1.000 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 | 1.000 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 1.000 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5997860 | 1.000 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC83315 | 1.000 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC83317 | 1.000 | 204.2 Da LogP 1.12 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC3269660 | 0.824 | 254.2 Da LogP 2.45 TPSA 71.4 | ✓ Ro5 | Alert |
O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1
|
| ZINC2504355 | 0.778 | 226.2 Da LogP 2.62 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccc(C(=O)c2ccccc2)cc1
|
| ZINC4899521 | 0.778 | 203.2 Da LogP 0.52 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC57505 | 0.778 | 203.2 Da LogP 0.52 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC2566035 | 0.757 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCc1c[nH]c2ccccc12)C(=O)O
|
| ZINC6864822 | 0.757 | 218.3 Da LogP 1.51 TPSA 79.1 | ✓ Ro5 | ✓ Clean |
N[C@H](CCc1c[nH]c2ccccc12)C(=O)O
|
| ZINC332363 | 0.750 | 226.2 Da LogP 0.61 TPSA 93.1 | ✓ Ro5 | ✓ Clean |
O=C(O)COc1cccc(OCC(=O)O)c1
|
| ZINC1690614 | 0.743 | 233.2 Da LogP 1.50 TPSA 90.4 | ✓ Ro5 | ✓ Clean |
O=C(O)C(Cc1c[nH]c2ccccc12)C(=O)O
|
| ZINC72399572 | 0.733 | 492.7 Da LogP 3.43 TPSA 93.0 | ✓ Ro5 | ✓ Clean |
C[C@H](CCC(=O)NCCCN(C)C)[C@H]1CC[C@H]2[C@H]3[C@…
|
| ZINC1637998 | 0.732 | 261.3 Da LogP 0.24 TPSA 108.2 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
|
| ZINC2384992 | 0.732 | 261.3 Da LogP 0.24 TPSA 108.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
|
| ZINC264238 | 0.732 | 293.4 Da LogP 2.35 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
|
| ZINC264242 | 0.732 | 293.4 Da LogP 2.35 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
|
| ZINC575419714 | 0.727 | 312.4 Da LogP 0.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCSCCOCCOCCO
|
| ZINC34781219 | 0.718 | 218.3 Da LogP 1.21 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC34781220 | 0.718 | 218.3 Da LogP 1.21 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC1557161 | 0.714 | 390.4 Da LogP 2.33 TPSA 124.0 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]…
|
| ZINC1557164 | 0.714 | 390.4 Da LogP 2.33 TPSA 124.0 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2…
|
| ZINC14982898 | 0.711 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2c(O)cccc12)C(=O)O
|
| ZINC14982901 | 0.711 | 220.2 Da LogP 0.83 TPSA 99.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2c(O)cccc12)C(=O)O
|
| ZINC193616 | 0.707 | 279.3 Da LogP 2.68 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
|
| ZINC2497690 | 0.707 | 279.3 Da LogP 2.68 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
|
| ZINC35051054 | 0.707 | 294.4 Da LogP 2.78 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
|
| ZINC35051056 | 0.707 | 294.4 Da LogP 2.78 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
|
| ZINC874230 | 0.707 | 231.3 Da LogP 1.17 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC874233 | 0.707 | 231.3 Da LogP 1.17 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC19504011 | 0.706 | 210.2 Da LogP 0.94 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
COC(=O)COc1cccc(C(=O)O)c1
|
| ZINC34161407 | 0.706 | 210.2 Da LogP 0.94 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
COC(=O)c1cccc(OCC(=O)O)c1
|
| ZINC1889002139 | 0.703 | 449.7 Da LogP 3.89 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](…
|
| ZINC1889002140 | 0.703 | 449.7 Da LogP 3.89 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](…
|
| ZINC1889002141 | 0.703 | 449.7 Da LogP 3.89 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H]…
|
| ZINC1889002142 | 0.703 | 449.7 Da LogP 3.89 TPSA 89.8 | ✓ Ro5 | ✓ Clean |
CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H]…
|
| ZINC39098 | 0.703 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12
|
| ZINC39099 | 0.703 | 205.2 Da LogP 1.16 TPSA 73.3 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](O)Cc1c[nH]c2ccccc12
|
| ZINC83138991 | 0.703 | 268.1 Da LogP 2.56 TPSA 53.1 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@@H](Br)Cc1c[nH]c2ccccc12
|
| ZINC115163232 | 0.700 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCCO
|
| ZINC258837490 | 0.700 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCCO
|
| ZINC34307123 | 0.700 | 217.3 Da LogP 0.78 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC34482181 | 0.700 | 217.3 Da LogP 0.78 TPSA 70.9 | ✓ Ro5 | ✓ Clean |
CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
| ZINC52968847 | 0.700 | 232.3 Da LogP 1.60 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
|
| ZINC53943847 | 0.700 | 232.3 Da LogP 1.60 TPSA 68.1 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12
|
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.