MolNFT v1 · #62751 · protein
TRNA-guanine transglycosylase in complex with 6-amino-4-(2- hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-IMIDAZO[4,5- G]QUINAZOLIN-8-one
3EOU · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase in complex with 6-amino-4-(2…”. X-ray diffraction, 2 ligands (PK3, ZN), 3 pockets (best druggability 0.51). MolNFT v1 #62751 on GenesisL1: 3D structure, binding sites…
- PDB
- 3EOU
- Type
- protein
- Length
- 349 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Queuine tRNA-ribosyltransferase
- EC
- 2.4.2.29
- UniProt
- P28720
- Ligands
- PK3, ZN
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Queuine tRNA-ribosyltransferase (EC 2.4.2.29) | protein | 349 | 46% helix, 17% strand | P28720 |
Ligands and binding sites
- PK3 · 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · 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 | 101 | 0.51 | 0.82 | 23 | PK3 |
| 2 | 74 | 0.39 | 0.78 | 20 | empty |
| 3 | 52 | 0.28 | 0.75 | 11 | empty |
Compared structures
- 3EOU · tRNA-guanine transglycosylase in complex with 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3… · 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 P28720
- Elsewhere: RCSB PDB 3EOU · PDBe 3EOU · UniProt P28720
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