MolNFT v1 · #89371 · protein
Crystal structure of human mof in complex with MSL1
4DNC · Histone acetyltransferase KAT8: “Crystal structure of human mof in complex with MSL1”. X-ray diffraction, 1 ligand (ZN), 14 pockets (best druggability 0.80). MolNFT v1 #89371 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4DNC
- Type
- protein
- Length
- 628 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase KAT8; Male-specific lethal 1 homolog
- EC
- 2.3.1.48
- UniProt
- Q9H7Z6, Q68DK7
- Ligands
- ZN
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase KAT8 (EC 2.3.1.48) | protein | 272 | 35% helix, 24% strand | Q9H7Z6 |
| B | Histone acetyltransferase KAT8 (EC 2.3.1.48) | protein | 268 | 37% helix, 24% strand | Q9H7Z6 |
| D | Male-specific lethal 1 homolog | protein | 42 | 45% helix, 7% strand | Q68DK7 |
| E | Male-specific lethal 1 homolog | protein | 46 | 39% helix, 7% strand | Q68DK7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 524 | 0.80 | 0.87 | 56 | empty |
| 2 | 100 | 0.47 | 0.80 | 22 | empty |
| 3 | 55 | 0.43 | 0.83 | 18 | empty |
| 4 | 68 | 0.41 | 0.80 | 16 | empty |
| 5 | 85 | 0.40 | 0.78 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–E · 1705 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 1643 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 958 Ų buried · 13 hydrogen bonds · protein-protein
- A–E · 539 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 517 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (acetylation).
Compared structures
- 4DNC · Crystal structure of human MOF in complex with MSL1 · the same entry in another collection · chain E against E, 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 0.99
- Q68DK7 · AlphaFold monomer V2.0 prediction for male-specific lethal 1 homolog (Q68DK7) · a predicted model of the same protein · chain D against A, TM-score 0.56
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
- Every structure of UniProt Q68DK7
- Elsewhere: RCSB PDB 4DNC · PDBe 4DNC · UniProt Q9H7Z6 · UniProt Q68DK7
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