MolNFT v1 · #172367 · protein
TRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane
7A0B · Queuine tRNA-ribosyltransferase: “TRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane”. X-ray diffraction, 2 ligands (QTQ, ZN), 4 pockets (best druggability 0.66). MolNFT v1…
- PDB
- 7A0B
- Type
- protein
- Length
- 375 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
- QTQ, ZN
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Queuine tRNA-ribosyltransferase (EC 2.4.2.29) | protein | 375 | 45% helix, 17% strand | P28720 |
Ligands and binding sites
- QTQ · (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol · ligand · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.66 | 0.84 | 35 | empty |
| 2 | 163 | 0.58 | 0.81 | 26 | GOL, QTQ |
| 3 | 53 | 0.41 | 0.82 | 11 | EDO |
| 4 | 68 | 0.33 | 0.75 | 13 | empty |
Compared structures
- 7A0B · tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with… · 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 7A0B · PDBe 7A0B · UniProt P28720
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