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Crystal structure of SETD2 bound to compound 35
Analyse Crystal structure of SETD2 bound to compound 35 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LZD
- Type
- protein
- Length
- 237 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone-lysine N-methyltransferase SETD2
- EC
- 2.1.1.359, 2.1.1.-
- UniProt
- Q9BYW2
- Ligands
- SAM, YHY, ZN
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone-lysine N-methyltransferase SETD2 (EC 2.1.1.359, 2.1.1.-) | protein | 237 | 19% helix, 27% strand | Q9BYW2 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains A
- YHY · N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide · ligand · chains A
- ZN · Zinc ion · metal · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
- DMS · Dimethyl sulfoxide · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.75 | 0.84 | 47 | SAM, YHY, EDO |
| 2 | 101 | 0.52 | 0.83 | 17 | EDO |
Compared structures
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 Q9BYW2
- Elsewhere: RCSB PDB 7LZD · PDBe 7LZD · UniProt Q9BYW2
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