MolNFT v1 · #17760 · protein + DNA
Crystallographic studies of nucleosome core particles containing histone 'sin' mutants
1P3A · Palindromic 146BP human alpha-satellite DNA fragment: “Crystallographic studies of nucleosome core particles containing histone 'sin' mutants”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #17760 on GenesisL1…
- PDB
- 1P3A
- Type
- protein + DNA
- Length
- 1,042 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Palindromic 146BP human alpha-satellite DNA fragment; Histone H3; Histone H4; Histone…
- UniProt
- Q7ZT64, P62799, Q7ZT66, P02281
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 8 distinct chains · 64% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I, J | Palindromic 146BP human alpha-satellite DNA fragment | dna | 146 | — | — |
| A, E | Histone H3 | protein | 98 | 64% helix, 4% strand | Q7ZT64 |
| B | Histone H4 | protein | 79 | 63% helix, 8% strand | P62799 |
| C | Histone H2A | protein | 107 | 56% helix, 7% strand | Q7ZT66 |
| D | Histone H2B | protein | 91 | 76% helix, 4% strand | P02281 |
| F | Histone H4 | protein | 81 | 62% helix, 9% strand | P62799 |
| G | Histone H2A | protein | 104 | 55% helix, 6% strand | Q7ZT66 |
| H | Histone H2B | protein | 92 | 75% helix, 4% strand | P02281 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.77 | 0.85 | 54 | empty |
| 2 | 433 | 0.76 | 0.86 | 62 | empty |
| 3 | 626 | 0.76 | 0.82 | 64 | empty |
| 4 | 1049 | 0.71 | 0.76 | 73 | empty |
| 5 | 929 | 0.70 | 0.75 | 70 | empty |
Interfaces
37 interfaces between chains.
- I–J · 6290 Ų buried · 507 hydrogen bonds · nucleic-nucleic
- C–D · 2640 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 2613 Ų buried · 28 hydrogen bonds · protein-protein
- G–H · 2560 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2537 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1P3A · Crystallographic Studies of Nucleosome Core Particles containing Histone 'Sin' Mutants · the same entry in another collection · chain I against I, 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 Q7ZT64
- Every structure of UniProt P62799
- Every structure of UniProt Q7ZT66
- Every structure of UniProt P02281
- Elsewhere: RCSB PDB 1P3A · PDBe 1P3A · UniProt Q7ZT64 · UniProt P62799 · UniProt Q7ZT66 · UniProt P02281
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