MolNFT v1 · #103847 · protein
Crystal structure of histone acetyltransferase complex
4PSW · Histone acetyltransferase type B catalytic subunit: “Crystal structure of histone acetyltransferase complex”. X-ray diffraction, 1 ligand (COA), 9 pockets (best druggability 0.78). MolNFT v1 #103847 on GenesisL1: 3D structure…
- PDB
- 4PSW
- Type
- protein
- Length
- 720 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase type B catalytic subunit; Histone acetyltransferase type B…
- EC
- 2.3.1.48
- UniProt
- Q12341, P39984, V8PGJ1
- Ligands
- COA
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone acetyltransferase type B catalytic subunit (EC 2.3.1.48) | protein | 316 | 38% helix, 27% strand | Q12341 |
| B | Histone acetyltransferase type B subunit 2 | protein | 366 | 7% helix, 47% strand | P39984 |
| C | Histone H4 type VIII | protein | 38 | 26% helix, 0% strand | V8PGJ1 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.78 | 0.86 | 57 | empty |
| 2 | 154 | 0.64 | 0.86 | 30 | empty |
| 3 | 280 | 0.58 | 0.78 | 37 | COA |
| 4 | 317 | 0.58 | 0.77 | 46 | empty |
| 5 | 52 | 0.40 | 0.82 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1004 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 911 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 689 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4PSW · Crystal structure of histone acetyltransferase complex · the same entry in another collection · chain A against A, TM-score 1.00
- P39984 · AlphaFold monomer V2.0 prediction for histone acetyltransferase type B subunit 2 (P39984) · a predicted model of the same protein · chain B against A, TM-score 1.00
- Q12341 · AlphaFold monomer V2.0 prediction for histone acetyltransferase type B catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q12341
- Every structure of UniProt P39984
- Every structure of UniProt V8PGJ1
- Elsewhere: RCSB PDB 4PSW · PDBe 4PSW · UniProt Q12341 · UniProt P39984 · UniProt V8PGJ1
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