MolNFT v1 · #95560 · protein
Crystal structure of the catalytic domain of human PUS1 with mes in the active site
4ITS · TRNA pseudouridine synthase a, mitochondrial: “Crystal structure of the catalytic domain of human PUS1 with mes in the active site”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.57). MolNFT v1 #95560 on…
- PDB
- 4ITS
- Type
- protein
- Length
- 296 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRNA pseudouridine synthase a, mitochondrial
- EC
- 5.4.99.12
- UniProt
- Q9Y606
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TRNA pseudouridine synthase a, mitochondrial (EC 5.4.99.12) | protein | 296 | 35% helix, 26% strand | Q9Y606 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · 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 | 118 | 0.57 | 0.84 | 19 | MES, SO4 |
| 2 | 60 | 0.41 | 0.81 | 21 | empty |
| 3 | 62 | 0.29 | 0.74 | 11 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4ITS · Crystal structure of the catalytic domain of human Pus1 with MES in the active site · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y606 · AlphaFold monomer V2.0 prediction for tRNA pseudouridine synthase a (Q9Y606) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9Y606
- Elsewhere: RCSB PDB 4ITS · PDBe 4ITS · UniProt Q9Y606
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