MolNFT v1 · #160193 · protein
Crystal structure of myst acetyltransferase domain in complex with inhibitor 80
6PDB · Histone acetyltransferase KAT8: “Crystal structure of myst acetyltransferase domain in complex with inhibitor 80”. X-ray diffraction, 4 ligands (O9M, ZN, NA), 3 pockets (best druggability 0.70). MolNFT v1 #160193 on GenesisL1: 3D…
- PDB
- 6PDB
- Type
- protein
- Length
- 268 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
- O9M, ZN, NA, SO4
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase KAT8 (EC 2.3.1.48) | protein | 268 | 37% helix, 23% strand | Q9H7Z6 |
Ligands and binding sites
- O9M · 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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
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 | 353 | 0.70 | 0.83 | 49 | GOL, O9M |
| 2 | 83 | 0.35 | 0.75 | 14 | empty |
| 3 | 68 | 0.34 | 0.76 | 19 | empty |
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 6PDB · Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 · 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 0.98
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 6PDB · PDBe 6PDB · UniProt Q9H7Z6
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