MolNFT v1 · #19721 · protein
Histone acetyltransferase HPA2 from saccharomyces cerevisiae in complex with acetyl coenzyme a
1QSM · HPA2 histone acetyltransferase: “Histone acetyltransferase HPA2 from saccharomyces cerevisiae in complex with acetyl coenzyme a”. X-ray diffraction, 1 ligand (ACO), 7 pockets (best druggability 0.78). MolNFT v1 #19721 on GenesisL1…
- PDB
- 1QSM
- Type
- protein
- Length
- 600 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HPA2 histone acetyltransferase
- EC
- 2.3.1.48
- UniProt
- Q06592
- Ligands
- ACO
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HPA2 histone acetyltransferase (EC 2.3.1.48) | protein | 150 | 38% helix, 31% strand | Q06592 |
| B, C | HPA2 histone acetyltransferase (EC 2.3.1.48) | protein | 149 | 39% helix, 32% strand | Q06592 |
| D | HPA2 histone acetyltransferase (EC 2.3.1.48) | protein | 152 | 39% helix, 31% strand | Q06592 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 677 | 0.78 | 0.82 | 76 | ACO |
| 2 | 667 | 0.77 | 0.82 | 77 | ACO |
| 3 | 147 | 0.68 | 0.89 | 33 | empty |
| 4 | 211 | 0.68 | 0.85 | 28 | ACO |
| 5 | 220 | 0.66 | 0.83 | 27 | ACO |
Interfaces
6 interfaces between chains.
- A–B · 3008 Ų buried · 59 hydrogen bonds · protein-protein
- C–D · 2961 Ų buried · 50 hydrogen bonds · protein-protein
- A–C · 336 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 320 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 97 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1QSM · Histone Acetyltransferase HPA2 from Saccharomyces Cerevisiae in Complex with Acetyl… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06592 · AlphaFold monomer V2.0 prediction for histone acetyltransferase HPA2 (Q06592) · a predicted model of the same protein · chain B 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 Q06592
- Elsewhere: RCSB PDB 1QSM · PDBe 1QSM · UniProt Q06592
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