MolNFT v1 · #26470 · protein
Escherichia COLI tyrosyl-tRNA synthetase mutant complexed with 3-iodo- L-tyrosine
1WQ3: “Escherichia COLI tyrosyl-tRNA synthetase mutant complexed with 3-iodo- L-tyrosine”. X-ray diffraction, 1 ligand (IYR), 3 pockets (best druggability 0.74). MolNFT v1 #26470 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1WQ3
- Type
- protein
- Length
- 322 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosyl-tRNA synthetase
- EC
- 6.1.1.1
- UniProt
- P00951
- Ligands
- IYR
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosyl-tRNA synthetase (EC 6.1.1.1) | protein | 322 | 55% helix, 11% strand | P00951 |
Ligands and binding sites
- IYR · 3-iodo-tyrosine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.74 | 0.84 | 60 | IYR |
| 2 | 122 | 0.41 | 0.75 | 17 | empty |
| 3 | 68 | 0.31 | 0.74 | 11 | empty |
Compared structures
- 1WQ3 · Escherichia coli tyrosyl-tRNA synthetase mutant complexed with 3-iodo-L-tyrosine · 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 P00951
- Elsewhere: RCSB PDB 1WQ3 · PDBe 1WQ3 · UniProt P00951
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