MolNFT v1 · #91858 · protein
TRNA-guanine transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand
4FPS · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand”. X-ray diffraction, 2 ligands (0UX, ZN), 3 pockets (best druggability 0.60). MolNFT v1 #91858 on…
- PDB
- 4FPS
- Type
- protein
- Length
- 363 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
- 0UX, ZN
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Queuine tRNA-ribosyltransferase (EC 2.4.2.29) | protein | 363 | 47% helix, 18% strand | P28720 |
Ligands and binding sites
- 0UX · 6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 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 | 185 | 0.60 | 0.83 | 32 | 0UX |
| 2 | 62 | 0.32 | 0.76 | 20 | empty |
| 3 | 65 | 0.30 | 0.75 | 17 | empty |
Compared structures
- 4FPS · tRNA-Guanine Transglycosylase in complex with adamantyl-substituted lin-benzoguanine… · 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 4FPS · PDBe 4FPS · UniProt P28720
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