MolNFT v1 · #120357 · protein + DNA
The crystal structure of the nucleosome containing H3.6
5GXQ · Histone H3.6: “The crystal structure of the nucleosome containing H3.6”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #120357 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5GXQ
- Type
- protein + DNA
- Length
- 1,050 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone H3.6; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-J; DNA (146-mer)
- UniProt
- P62805, P04908, P06899
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 9 distinct chains · 63% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone H3.6 | protein | 97 | 64% helix, 4% strand | — |
| B | Histone H4 | protein | 78 | 63% helix, 9% strand | P62805 |
| C | Histone H2A type 1-B/E | protein | 108 | 56% helix, 6% strand | P04908 |
| D | Histone H2B type 1-J | protein | 96 | 72% helix, 4% strand | P06899 |
| E | Histone H3.6 | protein | 99 | 64% helix, 4% strand | — |
| F | Histone H4 | protein | 84 | 60% helix, 8% strand | P62805 |
| G | Histone H2A type 1-B/E | protein | 104 | 56% helix, 7% strand | P04908 |
| H | Histone H2B type 1-J | protein | 92 | 73% helix, 4% strand | P06899 |
| I, J | DNA (146-mer) | dna | 146 | — | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1128 | 0.81 | 0.83 | 122 | empty |
| 2 | 805 | 0.80 | 0.83 | 75 | empty |
| 3 | 685 | 0.70 | 0.78 | 69 | empty |
| 4 | 361 | 0.66 | 0.81 | 43 | empty |
| 5 | 231 | 0.65 | 0.84 | 32 | empty |
Interfaces
36 interfaces between chains.
- I–J · 6396 Ų buried · 592 hydrogen bonds · nucleic-nucleic
- C–D · 2630 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 2620 Ų buried · 27 hydrogen bonds · protein-protein
- G–H · 2578 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 2545 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5GXQ · The crystal structure of the nucleosome containing H3.6 · the same entry in another collection · chain J against J, 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 P62805
- Every structure of UniProt P04908
- Every structure of UniProt P06899
- Elsewhere: RCSB PDB 5GXQ · PDBe 5GXQ · UniProt P62805 · UniProt P04908 · UniProt P06899
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