MolNFT v1 · #134167 · protein
Crystal structure of tgt in complex with 3-pyridinecarboxylic acid, 6- (dimethylamino)
5SW3 · Queuine tRNA-ribosyltransferase: “Crystal structure of tgt in complex with 3-pyridinecarboxylic acid, 6- (dimethylamino)”. X-ray diffraction, 2 ligands (46L, ZN), 2 pockets (best druggability 0.64). MolNFT v1 #134167 on GenesisL1…
- PDB
- 5SW3
- Type
- protein
- Length
- 371 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
- 46L, ZN
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Queuine tRNA-ribosyltransferase (EC 2.4.2.29) | protein | 371 | 46% helix, 19% strand | P28720 |
Ligands and binding sites
- 46L · 6-(dimethylamino)pyridine-3-carboxylic acid · ligand · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 206 | 0.64 | 0.83 | 36 | 46L |
| 2 | 52 | 0.29 | 0.76 | 17 | empty |
Compared structures
- 5SW3 · Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) · 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 5SW3 · PDBe 5SW3 · UniProt P28720
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