MolNFT v1 · #74323 · protein
Crystal structure of human trnahis guanylyltransferase (THG1)- nai derivative
3OTD · TRNA(HIS) guanylyltransferase: “Crystal structure of human trnahis guanylyltransferase (THG1)- nai derivative”. X-ray diffraction, 1 ligand (IOD), 4 pockets (best druggability 0.65). MolNFT v1 #74323 on GenesisL1: 3D structure…
- PDB
- 3OTD
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRNA(HIS) guanylyltransferase
- EC
- 2.7.7.-
- UniProt
- Q9NWX6
- Ligands
- IOD
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TRNA(HIS) guanylyltransferase (EC 2.7.7.-) | protein | 240 | 50% helix, 17% strand | Q9NWX6 |
Ligands and binding sites
- IOD · Iodide ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.65 | 0.83 | 34 | empty |
| 2 | 236 | 0.64 | 0.83 | 34 | empty |
| 3 | 166 | 0.51 | 0.78 | 30 | empty |
| 4 | 88 | 0.31 | 0.72 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2102 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3OTD · Crystal structure of human tRNAHis guanylyltransferase (Thg1)- NaI derivative · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWX6 · AlphaFold monomer V2.0 prediction for probable TRNA(HIS) guanylyltransferase (Q9NWX6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9NWX6
- Elsewhere: RCSB PDB 3OTD · PDBe 3OTD · UniProt Q9NWX6
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