MolNFT v1 · #185192 · protein
Crystal structure of YTHDC1 with compound DHU_DC1_225
7PJ8 · Yth domain-containing protein 1: “Crystal structure of YTHDC1 with compound DHU_DC1_225”. X-ray diffraction, 2 ligands (7RT, SO4), 8 pockets (best druggability 0.58). MolNFT v1 #185192 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7PJ8
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yth domain-containing protein 1
- UniProt
- Q96MU7
- Ligands
- 7RT, SO4
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Yth domain-containing protein 1 | protein | 161 | 35% helix, 25% strand | Q96MU7 |
| B | Yth domain-containing protein 1 | protein | 164 | 32% helix, 26% strand | Q96MU7 |
Ligands and binding sites
- 7RT · N-methyl-1H-indole-4-carboxamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.58 | 0.83 | 18 | 7RT |
| 2 | 115 | 0.51 | 0.81 | 18 | 7RT |
| 3 | 76 | 0.45 | 0.81 | 18 | empty |
| 4 | 191 | 0.44 | 0.73 | 33 | empty |
| 5 | 122 | 0.43 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 259 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7PJ8 · Crystal structure of YTHDC1 with compound DHU_DC1_225 · 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 Q96MU7
- Elsewhere: RCSB PDB 7PJ8 · PDBe 7PJ8 · UniProt Q96MU7
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