MolNFT v1 · #156631 · protein
HBO1 is required for the maintenance of leukaemia stem cells
6MAJ · Histone acetyltransferase KAT7: “HBO1 is required for the maintenance of leukaemia stem cells”. X-ray diffraction, 2 ligands (JAV, ZN), 2 pockets (best druggability 0.66). MolNFT v1 #156631 on GenesisL1: 3D structure, binding sites…
- PDB
- 6MAJ
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase KAT7; BRD1 protein
- EC
- 2.3.1.48
- UniProt
- O95251, Q86X06
- Ligands
- JAV, ZN
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase KAT7 (EC 2.3.1.48) | protein | 267 | 35% helix, 25% strand | O95251 |
| B | BRD1 protein | protein | 20 | 0% helix, 60% strand | Q86X06 |
Ligands and binding sites
- JAV · 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.66 | 0.84 | 42 | GOL, JAV |
| 2 | 88 | 0.42 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 864 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 6MAJ · HBO1 is required for the maintenance of leukaemia stem cells · the same entry in another collection · chain A against A, TM-score 1.00
- O95251 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT7 (O95251) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O95251
- Every structure of UniProt Q86X06
- Elsewhere: RCSB PDB 6MAJ · PDBe 6MAJ · UniProt O95251 · UniProt Q86X06
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