MolNFT v1 · #14738 · protein
Crystal structure of yeast ESA1 histone acetyltransferase E338Q mutant complexed with acetyl coenzyme a
1MJB · ESA1 protein: “Crystal structure of yeast ESA1 histone acetyltransferase E338Q mutant complexed with acetyl coenzyme a”. X-ray diffraction, 1 ligand (ACO), 5 pockets (best druggability 0.68). MolNFT v1 #14738 on GenesisL1: 3D…
- PDB
- 1MJB
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ESA1 protein
- UniProt
- Q08649
- Ligands
- ACO
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ESA1 protein | protein | 273 | 35% helix, 25% strand | Q08649 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 462 | 0.68 | 0.79 | 55 | ACO |
| 2 | 186 | 0.54 | 0.79 | 27 | empty |
| 3 | 87 | 0.39 | 0.78 | 19 | empty |
| 4 | 58 | 0.39 | 0.80 | 17 | empty |
| 5 | 71 | 0.38 | 0.78 | 17 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1MJB · Crystal structure of yeast Esa1 histone acetyltransferase E338Q mutant complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q08649 · AlphaFold monomer V2.0 prediction for histone acetyltransferase ESA1 (Q08649) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q08649
- Elsewhere: RCSB PDB 1MJB · PDBe 1MJB · UniProt Q08649
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