MolNFT v1 · #177132 · protein + DNA
Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin
7E8I · DNA (145-mer): “Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #177132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7E8I
- Type
- protein + DNA
- Length
- 1,466 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (145-mer); Histone H3; Histone H4; Histone H2A; Histone H2B 1.1; BRCA1-associated…
- EC
- 2.3.2.27
- UniProt
- A0A310TTQ1, P62799, Q6AZJ8, P02281, Q99728, J3QS39
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 12 distinct chains · 52% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| J | DNA (145-mer) | dna | 145 | — | — |
| I | DNA (145-mer) | dna | 145 | — | — |
| A | Histone H3 | protein | 96 | 61% helix, 4% strand | A0A310TTQ1 |
| B | Histone H4 | protein | 89 | 56% helix, 8% strand | P62799 |
| C | Histone H2A | protein | 108 | 53% helix, 6% strand | Q6AZJ8 |
| D | Histone H2B 1.1 | protein | 92 | 74% helix, 4% strand | P02281 |
| E | Histone H3 | protein | 99 | 61% helix, 4% strand | A0A310TTQ1 |
| F | Histone H4 | protein | 84 | 60% helix, 8% strand | P62799 |
| G | Histone H2A | protein | 105 | 54% helix, 5% strand | Q6AZJ8 |
| H | Histone H2B 1.1 | protein | 93 | 71% helix, 2% strand | P02281 |
| K | BRCA1-associated ring domain protein 1 (EC 2.3.2.27) | protein | 334 | 37% helix, 9% strand | Q99728 |
| L | Polyubiquitin-B | protein | 76 | 22% helix, 28% strand | J3QS39 |
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 | 1152 | 0.83 | 0.84 | 99 | empty |
| 2 | 451 | 0.77 | 0.86 | 49 | empty |
| 3 | 356 | 0.75 | 0.86 | 42 | empty |
| 4 | 671 | 0.70 | 0.78 | 42 | empty |
| 5 | 228 | 0.69 | 0.87 | 29 | empty |
Interfaces
46 interfaces between chains.
- J–I · 6395 Ų buried · 436 hydrogen bonds · nucleic-nucleic
- A–B · 2693 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 2646 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 2628 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 2545 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 7E8I · Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin · the same entry in another collection · chain L against L, 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 A0A310TTQ1
- Every structure of UniProt P62799
- Every structure of UniProt Q6AZJ8
- Every structure of UniProt P02281
- Every structure of UniProt Q99728
- Every structure of UniProt J3QS39
- Elsewhere: RCSB PDB 7E8I · PDBe 7E8I · UniProt A0A310TTQ1 · UniProt P62799 · UniProt Q6AZJ8 · UniProt P02281 · UniProt Q99728 · UniProt J3QS39
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