Research workbench
Co-crystal structure of toxoplasma gondii prolyl tRNA synthetase (tgprs) in complex with T36 and L-pro
Analyse Co-crystal structure of toxoplasma gondii prolyl tRNA synthetase (tgprs) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7FAL
- Type
- protein
- Length
- 958 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prolyl-tRNA synthetase (prors)
- UniProt
- A0A7J6JUK2
- Ligands
- 1T0, PRO
- Pockets
- 13 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prolyl-tRNA synthetase (prors) | protein | 481 | 36% helix, 29% strand | A0A7J6JUK2 |
| B | Prolyl-tRNA synthetase (prors) | protein | 477 | 36% helix, 27% strand | A0A7J6JUK2 |
Ligands and binding sites
- 1T0 · 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide · ligand · 2 copies · chains A, B
- PRO · Proline · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 486 | 0.78 | 0.85 | 58 | empty |
| 2 | 678 | 0.73 | 0.79 | 58 | 1T0, PRO |
| 3 | 690 | 0.72 | 0.78 | 60 | 1T0, PRO |
| 4 | 58 | 0.71 | 0.97 | 15 | empty |
| 5 | 408 | 0.69 | 0.81 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 2669 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 7FAL · Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A7J6JUK2
- Elsewhere: RCSB PDB 7FAL · PDBe 7FAL · UniProt A0A7J6JUK2
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