MolNFT v1 · #135189 · protein
Crystal structure of human GCN5 histone acetyltransferase domain
5TRL · Histone acetyltransferase KAT2A: “Crystal structure of human GCN5 histone acetyltransferase domain”. X-ray diffraction, 1 ligand (SCA), 16 pockets (best druggability 0.77). MolNFT v1 #135189 on GenesisL1: 3D structure, binding sites…
- PDB
- 5TRL
- Type
- protein
- Length
- 1,281 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase KAT2A
- EC
- 2.3.1.48
- UniProt
- Q92830
- Ligands
- SCA
- Pockets
- 16 · best druggability 0.77
Structure
x-ray diffraction · 5 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D, F, A | Histone acetyltransferase KAT2A (EC 2.3.1.48) | protein | 161 | 32% helix, 30% strand | Q92830 |
| E | Histone acetyltransferase KAT2A (EC 2.3.1.48) | protein | 160 | 35% helix, 29% strand | Q92830 |
| B | Histone acetyltransferase KAT2A (EC 2.3.1.48) | protein | 160 | 33% helix, 30% strand | Q92830 |
| G | Histone acetyltransferase KAT2A (EC 2.3.1.48) | protein | 156 | 34% helix, 31% strand | Q92830 |
| H | Histone acetyltransferase KAT2A (EC 2.3.1.48) | protein | 161 | 32% helix, 30% strand | Q92830 |
Ligands and binding sites
- SCA · Succinyl-coenzyme A · ligand · 8 copies · chains C, D, E, F, B, A, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 911 | 0.77 | 0.80 | 82 | SCA |
| 2 | 513 | 0.73 | 0.81 | 70 | SCA |
| 3 | 443 | 0.72 | 0.82 | 58 | SCA |
| 4 | 608 | 0.68 | 0.77 | 70 | empty |
| 5 | 544 | 0.67 | 0.77 | 57 | empty |
Interfaces
11 interfaces between chains.
- E–F · 770 Ų buried · 6 hydrogen bonds · protein-protein
- B–A · 770 Ų buried · 10 hydrogen bonds · protein-protein
- C–A · 756 Ų buried · 7 hydrogen bonds · protein-protein
- D–E · 709 Ų buried · 6 hydrogen bonds · protein-protein
- F–H · 700 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5TRL · Crystal structure of human GCN5 histone acetyltransferase domain · the same entry in another collection · chain H against H, TM-score 1.00
- Q92830 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT2A (Q92830) · a predicted model of the same protein · chain G against A, TM-score 0.98
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 Q92830
- Elsewhere: RCSB PDB 5TRL · PDBe 5TRL · UniProt Q92830
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