MolNFT v1 · #187417 · protein + DNA
NUC147 bound to single brct
7SCY · DNA (147-mer): “NUC147 bound to single brct”. Electron microscopy, 20 pockets (best druggability 0.75). MolNFT v1 #187417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7SCY
- Type
- protein + DNA
- Length
- 1,144 residues
- Chains
- 11
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (147-mer); Histone H3.1; Histone H4; Histone H2A; Histone H2B type 1-J; Poly…
- EC
- 2.4.2.30, 2.4.2.-
- UniProt
- P68431, P62805, Q08AJ9, P06899, P09874
- Pockets
- 20 · best druggability 0.75
Structure
electron microscopy · 11 distinct chains · 62% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | DNA (147-mer) | dna | 147 | — | — |
| J | DNA (147-mer) | dna | 147 | — | — |
| A | Histone H3.1 | protein | 96 | 69% helix, 4% strand | P68431 |
| B | Histone H4 | protein | 77 | 65% helix, 8% strand | P62805 |
| C | Histone H2A | protein | 108 | 56% helix, 6% strand | Q08AJ9 |
| D | Histone H2B type 1-J | protein | 92 | 75% helix, 4% strand | P06899 |
| E | Histone H3.1 | protein | 99 | 67% helix, 4% strand | P68431 |
| F | Histone H4 | protein | 87 | 57% helix, 7% strand | P62805 |
| G | Histone H2A | protein | 104 | 59% helix, 6% strand | Q08AJ9 |
| H | Histone H2B type 1-J | protein | 91 | 76% helix, 4% strand | P06899 |
| K | Poly [ADP-ribose] polymerase 1 (EC 2.4.2.30, 2.4.2.-) | protein | 96 | 42% helix, 13% strand | P09874 |
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 | 842 | 0.75 | 0.80 | 71 | empty |
| 2 | 320 | 0.74 | 0.87 | 42 | empty |
| 3 | 309 | 0.74 | 0.86 | 43 | empty |
| 4 | 197 | 0.72 | 0.89 | 37 | empty |
| 5 | 768 | 0.70 | 0.77 | 53 | empty |
Interfaces
39 interfaces between chains.
- I–J · 6478 Ų buried · 689 hydrogen bonds · nucleic-nucleic
- E–F · 2635 Ų buried · 31 hydrogen bonds · protein-protein
- G–H · 2584 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 2529 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 2490 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
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 P68431
- Every structure of UniProt P62805
- Every structure of UniProt Q08AJ9
- Every structure of UniProt P06899
- Every structure of UniProt P09874
- Elsewhere: RCSB PDB 7SCY · PDBe 7SCY · UniProt P68431 · UniProt P62805 · UniProt Q08AJ9 · UniProt P06899 · UniProt P09874
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