MolNFT v1 · #104871 · protein
Crystal structure of bromodomain from plasmodium faciparum GCN5, PF3D7_0823300
4QNS · Histone acetyltransferase GCN5, putative: “Crystal structure of bromodomain from plasmodium faciparum GCN5, PF3D7_0823300”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.73). MolNFT v1 #104871 on GenesisL1: 3D…
- PDB
- 4QNS
- Type
- protein
- Length
- 415 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase GCN5, putative
- UniProt
- Q8IB67
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Histone acetyltransferase GCN5, putative | protein | 106 | 71% helix, 0% strand | Q8IB67 |
| C | Histone acetyltransferase GCN5, putative | protein | 101 | 69% helix, 0% strand | Q8IB67 |
| D | Histone acetyltransferase GCN5, putative | protein | 102 | 66% helix, 0% strand | Q8IB67 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, D, B, C
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, D, B, C
- ACT · Acetate ion · additive · 3 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.73 | 0.77 | 84 | SO4 |
| 2 | 128 | 0.57 | 0.83 | 23 | ACT |
| 3 | 104 | 0.51 | 0.82 | 20 | empty |
| 4 | 99 | 0.46 | 0.80 | 19 | empty |
| 5 | 154 | 0.45 | 0.76 | 33 | EDO |
Interfaces
4 interfaces between chains.
- A–D · 586 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 569 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 496 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 64 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4QNS · Crystal structure of bromodomain from Plasmodium faciparum GCN5, PF3D7_0823300 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8IB67
- Elsewhere: RCSB PDB 4QNS · PDBe 4QNS · UniProt Q8IB67
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