MolNFT v1 · #185748 · protein
Crystal structure of prolyl-tRNA synthetase (prors, proline-tRNA ligase) from plasmodium falciparum in complex with MAT334 and L- proline
7QC2 · Proline--tRNA ligase: “Crystal structure of prolyl-tRNA synthetase (prors, proline-tRNA ligase) from plasmodium falciparum in…”. X-ray diffraction, 2 ligands (PRO, AJT), 8 pockets (best druggability 0.76). MolNFT v1 #185748 on…
- PDB
- 7QC2
- Type
- protein
- Length
- 491 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proline--tRNA ligase
- EC
- 6.1.1.15
- UniProt
- Q8I5R7
- Ligands
- PRO, AJT
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proline--tRNA ligase (EC 6.1.1.15) | protein | 491 | 35% helix, 28% strand | Q8I5R7 |
Ligands and binding sites
- PRO · Proline · ligand · chains A
- AJT · ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-[[4-[[(2~{S})-pyrrolidin-2-yl]carbonylamino]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.76 | 0.82 | 59 | PRO, AJT |
| 2 | 145 | 0.65 | 0.86 | 29 | empty |
| 3 | 136 | 0.56 | 0.82 | 19 | empty |
| 4 | 92 | 0.51 | 0.83 | 25 | empty |
| 5 | 74 | 0.47 | 0.82 | 16 | empty |
Compared structures
- 7QC2 · Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8I5R7 · AlphaFold monomer V2.0 prediction for proline--tRNA ligase (Q8I5R7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8I5R7
- Elsewhere: RCSB PDB 7QC2 · PDBe 7QC2 · UniProt Q8I5R7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.