MolNFT v1 · #11876 · protein
Isoleucyl-tRNA synthetase complexed with isoleucyl- adenylate analogue
1JZQ: “Isoleucyl-tRNA synthetase complexed with isoleucyl- adenylate analogue”. X-ray diffraction, 2 ligands (ILA, ZN), 8 pockets (best druggability 0.68). MolNFT v1 #11876 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1JZQ
- Type
- protein
- Length
- 821 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoleucyl-tRNA synthetase
- EC
- 6.1.1.5
- UniProt
- P56690
- Ligands
- ILA, ZN
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoleucyl-tRNA synthetase (EC 6.1.1.5) | protein | 821 | 43% helix, 17% strand | P56690 |
Ligands and binding sites
- ILA · N-[isoleucinyl]-N'-[adenosyl]-diaminosufone · ligand · chains A
- ZN · Zinc ion · metal · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.68 | 0.78 | 46 | ILA |
| 2 | 416 | 0.68 | 0.80 | 43 | empty |
| 3 | 388 | 0.64 | 0.78 | 36 | empty |
| 4 | 215 | 0.49 | 0.75 | 21 | empty |
| 5 | 124 | 0.43 | 0.76 | 14 | empty |
Compared structures
- 1JZQ · Isoleucyl-tRNA synthetase Complexed with Isoleucyl-adenylate analogue · the same entry in another collection · chain A against A, TM-score 1.00
- P56690 · AlphaFold monomer V2.0 prediction for isoleucine--tRNA ligase (P56690) · 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 P56690
- Elsewhere: RCSB PDB 1JZQ · PDBe 1JZQ · UniProt P56690
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