MolNFT v1 · #103848 · protein
Crystal structure of histone acetyltransferase complex
4PSX · Histone acetyltransferase type B catalytic subunit: “Crystal structure of histone acetyltransferase complex”. X-ray diffraction, 2 ligands (COA, SO4), 19 pockets (best druggability 0.76). MolNFT v1 #103848 on GenesisL1: 3D…
- PDB
- 4PSX
- Type
- protein
- Length
- 1,446 residues
- Chains
- 8
- 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, P02309, P61830
- Ligands
- COA, SO4
- Pockets
- 19 · best druggability 0.76
Structure
x-ray diffraction · 6 distinct chains · 21% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Histone acetyltransferase type B catalytic subunit (EC 2.3.1.48) | protein | 313 | 39% helix, 28% strand | Q12341 |
| B, E | Histone acetyltransferase type B subunit 2 | protein | 361 | 5% helix, 47% strand | P39984 |
| C | Histone H4 | protein | 39 | 23% helix, 0% strand | P02309 |
| F | Histone H4 | protein | 37 | 24% helix, 0% strand | P02309 |
| Y | Histone H3 | protein | 12 | 0% helix, 0% strand | P61830 |
| P | Histone H3 | protein | 10 | 0% helix, 0% strand | P61830 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1032 | 0.76 | 0.78 | 83 | empty |
| 2 | 304 | 0.74 | 0.86 | 37 | SO4 |
| 3 | 261 | 0.71 | 0.86 | 37 | empty |
| 4 | 311 | 0.67 | 0.82 | 45 | empty |
| 5 | 565 | 0.66 | 0.77 | 58 | empty |
Interfaces
9 interfaces between chains.
- B–C · 992 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 964 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 882 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 833 Ų buried · 17 hydrogen bonds · protein-protein
- B–Y · 782 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4PSX · Crystal structure of histone acetyltransferase complex · the same entry in another collection · chain P against P, 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 0.98
- P61830 · AlphaFold monomer V2.0 prediction for histone H3 (P61830) · a predicted model of the same protein · chain P against A, TM-score 0.46
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 P02309
- Every structure of UniProt P61830
- Elsewhere: RCSB PDB 4PSX · PDBe 4PSX · UniProt Q12341 · UniProt P39984 · UniProt P02309 · UniProt P61830
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