MolNFT v1 · #159235 · protein
Crystal structure of myst acetyltransferase domain in complex with inhibitor 34
6OIP · Histone acetyltransferase KAT8: “Crystal structure of myst acetyltransferase domain in complex with inhibitor 34”. X-ray diffraction, 2 ligands (MLS, ZN), 4 pockets (best druggability 0.67). MolNFT v1 #159235 on GenesisL1: 3D…
- PDB
- 6OIP
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase KAT8
- EC
- 2.3.1.48
- UniProt
- Q9H7Z6
- Ligands
- MLS, ZN
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase KAT8 (EC 2.3.1.48) | protein | 272 | 36% helix, 24% strand | Q9H7Z6 |
Ligands and binding sites
- MLS · 2-fluoro-3-methyl-N'-[(naphthalen-2-yl) sulfonyl]benzohydrazide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.67 | 0.83 | 35 | GOL, MLS |
| 2 | 62 | 0.39 | 0.80 | 20 | empty |
| 3 | 98 | 0.39 | 0.76 | 16 | empty |
| 4 | 73 | 0.34 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 6OIP · Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H7Z6 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT8 (Q9H7Z6) · 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 Q9H7Z6
- Elsewhere: RCSB PDB 6OIP · PDBe 6OIP · UniProt Q9H7Z6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.