MolNFT v1 · #105569 · protein + DNA
Crystal structure of the RING1B/BMI1/UBCH5C PRC1 ubiquitylation module bound to the nucleosome core particle
4R8P · Histone H3.2: “Crystal structure of the RING1B/BMI1/UBCH5C PRC1 ubiquitylation module bound to the nucleosome core particle”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.82). MolNFT v1 #105569 on GenesisL1: 3D…
- PDB
- 4R8P
- Type
- protein + DNA
- Length
- 1,762 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone H3.2; Histone H4; Histone H2A; Histone H2B 1.1; DNA (147-mer); Polycomb complex…
- EC
- 6.3.2.-, 6.3.2.19
- UniProt
- P84233, P62799, Q6AZJ8, P02281, P35226, Q99496, P61077
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 13 distinct chains · 45% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone H3.2 | protein | 98 | 62% helix, 4% strand | P84233 |
| B | Histone H4 | protein | 86 | 58% helix, 8% strand | P62799 |
| C | Histone H2A | protein | 104 | 55% helix, 7% strand | Q6AZJ8 |
| D, H | Histone H2B 1.1 | protein | 95 | 73% helix, 4% strand | P02281 |
| E | Histone H3.2 | protein | 97 | 65% helix, 4% strand | P84233 |
| F | Histone H4 | protein | 82 | 62% helix, 9% strand | P62799 |
| G | Histone H2A | protein | 107 | 52% helix, 7% strand | Q6AZJ8 |
| I | DNA (147-mer) | dna | 144 | — | — |
| J | DNA (147-mer) | dna | 145 | — | — |
| K | Polycomb complex protein bmi-1 | protein | 105 | 38% helix, 18% strand | P35226 |
| L | E3 ubiquitin-protein ligase RING2, ubiquitin-conjugating enzyme E2 D3 (EC 6.3.2.-, 6.3.2.19) | protein | 254 | 22% helix, 17% strand | Q99496, P61077 |
| M | Polycomb complex protein bmi-1 | protein | 97 | 34% helix, 19% strand | P35226 |
| N | E3 ubiquitin-protein ligase RING2, ubiquitin-conjugating enzyme E2 D3 (EC 6.3.2.-, 6.3.2.19) | protein | 253 | 32% helix, 17% strand | Q99496, P61077 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains K, L, M, N
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1088 | 0.82 | 0.83 | 109 | empty |
| 2 | 870 | 0.78 | 0.81 | 79 | empty |
| 3 | 390 | 0.74 | 0.85 | 44 | empty |
| 4 | 345 | 0.74 | 0.86 | 41 | empty |
| 5 | 884 | 0.74 | 0.78 | 99 | empty |
Interfaces
54 interfaces between chains.
- I–J · 6592 Ų buried · 524 hydrogen bonds · nucleic-nucleic
- A–B · 2577 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 2545 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 2533 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 2491 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4R8P · Crystal structure of the Ring1B/Bmi1/UbcH5c PRC1 ubiquitylation module bound to the… · the same entry in another collection · chain N against N, 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 P84233
- Every structure of UniProt P62799
- Every structure of UniProt Q6AZJ8
- Every structure of UniProt P02281
- Every structure of UniProt P35226
- Every structure of UniProt Q99496
- Every structure of UniProt P61077
- Elsewhere: RCSB PDB 4R8P · PDBe 4R8P · UniProt P84233 · UniProt P62799 · UniProt Q6AZJ8 · UniProt P02281 · UniProt P35226 · UniProt Q99496 · UniProt P61077
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