MolNFT v1 · #19770 · protein + RNA
Insights into editing from an ile-tRNA synthetase structure with TRNA(ILE) and mupirocin
1QU3 · Isoleucyl-tRNA: “Insights into editing from an ile-tRNA synthetase structure with TRNA(ILE) and mupirocin”. X-ray diffraction, 2 ligands (MRC, ZN), 13 pockets (best druggability 0.75). MolNFT v1 #19770 on GenesisL1: 3D structure…
- PDB
- 1QU3
- Type
- protein + RNA
- Length
- 955 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoleucyl-tRNA; Isoleucyl-tRNA synthetase
- EC
- 6.1.1.5
- UniProt
- P41972
- Ligands
- MRC, ZN
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| T | Isoleucyl-tRNA | rna | 75 | — | — |
| A | Isoleucyl-tRNA synthetase (EC 6.1.1.5) | protein | 880 | 41% helix, 12% strand | P41972 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 630 | 0.75 | 0.81 | 59 | empty |
| 2 | 295 | 0.73 | 0.86 | 30 | empty |
| 3 | 460 | 0.73 | 0.82 | 50 | empty |
| 4 | 832 | 0.71 | 0.77 | 46 | empty |
| 5 | 855 | 0.71 | 0.77 | 62 | empty |
Interfaces
1 interface between chains.
- T–A · 2513 Ų buried · 64 hydrogen bonds · protein-nucleic
Compared structures
- 1QU3 · Insights into editing from an ile-tRNA synthetase structure with TRNA(ILE) and mupirocin · the same entry in another collection · chain T against T, TM-score 1.00
- P41972 · AlphaFold monomer V2.0 prediction for isoleucine--tRNA ligase (P41972) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P41972
- Elsewhere: RCSB PDB 1QU3 · PDBe 1QU3 · UniProt P41972
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