Protein profile
KP13_00720
Para-aminobenzoate synthase glutamine amidotransferase component II
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_00720
- Gene
- AHE42338.1 pabA
- Status
- annotated
- Amino acids
- 187
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 33.929
- Human E-value
- 5.32e-11
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 56.186
- DEG E-value
- 4.81e-76
- Localization
- Cytoplasmic
- ColabFold pLDDT
- 97.98
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)
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: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:0004049 Catalysis of the reaction: chorismate + L-glutamine = anthranilate + pyruvate + L-glutamate.
- GO:0046656 The chemical reactions and pathways resulting in the formation of folic acid, pteroylglutamic acid.
- 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:0046654 The chemical reactions and pathways resulting in the formation of tetrahydrofolate, 5,6,7,8-tetrahydrofolic acid, a folate derivative bearing additional hydrogens on the pterin group.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 185 | CDD | cd01743 | GATase1_Anthranilate_Synthase |
| 2 | 185 | InterPro | IPR006221 | Anthranilate synthase/para-aminobenzoate synthase like domain |
| 74 | 85 | PRINTS | PR00096 | Glutamine amidotransferase superfamily signature |
| 47 | 56 | PRINTS | PR00096 | Glutamine amidotransferase superfamily signature |
| 164 | 177 | PRINTS | PR00096 | Glutamine amidotransferase superfamily signature |
| 1 | 187 | ProSiteProfiles | PS51273 | Glutamine amidotransferase type 1 domain profile. |
| 1 | 186 | SUPERFAMILY | SSF52317 | Class I glutamine amidotransferase-like |
| 1 | 186 | InterPro | IPR029062 | Class I glutamine amidotransferase-like |
| 74 | 90 | PRINTS | PR00099 | Carbamoyl-phosphate synthase protein GATase domain signature |
| 44 | 58 | PRINTS | PR00099 | Carbamoyl-phosphate synthase protein GATase domain signature |
| 1 | 187 | Gene3D | G3DSA:3.40.50.880 | - |
| 1 | 187 | InterPro | IPR029062 | Class I glutamine amidotransferase-like |
| 3 | 185 | Pfam | PF00117 | Glutamine amidotransferase class-I |
| 3 | 185 | InterPro | IPR017926 | Glutamine amidotransferase |
| 1 | 187 | NCBIfam | TIGR00566 | glutamine amidotransferase of anthranilate synthase or aminodeoxychorismate synthase |
| 1 | 187 | InterPro | IPR006221 | Anthranilate synthase/para-aminobenzoate synthase like domain |
| 47 | 56 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 119 | 131 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 164 | 177 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 2 | 16 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 99 | 107 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 74 | 85 | PRINTS | PR00097 | Anthranilate synthase component II signature |
| 2 | 186 | PANTHER | PTHR43418 | MULTIFUNCTIONAL TRYPTOPHAN BIOSYNTHESIS PROTEIN-RELATED |
| 1 | 187 | FunFam | G3DSA:3.40.50.880:FF:000003 | Anthranilate synthase component II |
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_A0A0H3GU55
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_00720
|
ColabFold | — | — | full sequence | — | Loaded |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
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 | 2.96 | 0.096 |
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 | 1.57 | 0.024 |
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 |
|---|---|---|---|---|---|---|
| IMP | P0A6F1 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
|
|
| ORN | P0A6F1 | 132.2 Da LogP -0.86 TPSA 89.3 | ✓ Ro5 | ✓ Clean |
C(C[C@@H](C(=O)O)N)CN
|
|
| POP | P04079 | 176.0 Da LogP -2.08 TPSA 129.9 | ✓ Ro5 | ✓ Clean |
O[P@@](=O)([O-])O[P@@](=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).
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 |
|---|---|---|---|---|---|
| ZINC14951284 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C…
|
| ZINC1532551 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@…
|
| ZINC16969369 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@…
|
| ZINC4228242 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@…
|
| ZINC4353761 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C…
|
| ZINC8614392 | 1.000 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C…
|
| ZINC106686432 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP…
|
| ZINC12958393 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)O…
|
| ZINC35024781 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC35024785 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC35024786 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)…
|
| ZINC4261903 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O…
|
| ZINC80601236 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O…
|
| ZINC95921560 | 0.849 | 428.2 Da LogP -2.03 TPSA 226.5 | 2 viol. | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)O…
|
| ZINC77319466 | 0.792 | 364.3 Da LogP -0.78 TPSA 163.0 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[…
|
| ZINC225456440 | 0.750 | 282.3 Da LogP -1.61 TPSA 122.5 | ✓ Ro5 | ✓ Clean |
COC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[…
|
| ZINC230149202 | 0.750 | 282.3 Da LogP -1.61 TPSA 122.5 | ✓ Ro5 | ✓ Clean |
COC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)…
|
| ZINC3055005 | 0.750 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.750 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.750 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC12501413 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC12958448 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC1532555 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC16546189 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC2159505 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3073318 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869963 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869965 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC9334496 | 0.732 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC4531685 | 0.727 | 332.2 Da LogP -1.12 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](COP(=O)…
|
| ZINC4531686 | 0.727 | 332.2 Da LogP -1.12 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](COP(=O)(…
|
| ZINC4531687 | 0.727 | 332.2 Da LogP -1.12 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=O)…
|
| ZINC1555366 | 0.714 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.714 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.714 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.714 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.714 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.714 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC33979258 | 0.714 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC33979259 | 0.714 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC78920152 | 0.714 | 364.2 Da LogP -2.45 TPSA 200.2 | 1 viol. | ✓ Clean |
O=c1[nH]c(O)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)…
|
| ZINC8614391 | 0.709 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1nc[nH]c2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@…
|
| ZINC8614393 | 0.709 | 348.2 Da LogP -2.15 TPSA 180.0 | ✓ Ro5 | ✓ Clean |
O=c1nc[nH]c2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@…
|
| ZINC16951611 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H…
|
| ZINC2573068 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@…
|
| ZINC5106293 | 0.706 | 270.2 Da LogP -1.29 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CF)[C@@H](O)[C@…
|
| ZINC8613160 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@…
|
| ZINC8614390 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C…
|
| ZINC8652273 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@…
|
| ZINC8652274 | 0.706 | 268.2 Da LogP -2.27 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@…
|
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.