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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.2protein9862% helix, 4% strandP84233
BHistone H4protein8658% helix, 8% strandP62799
CHistone H2Aprotein10455% helix, 7% strandQ6AZJ8
D, HHistone H2B 1.1protein9573% helix, 4% strandP02281
EHistone H3.2protein9765% helix, 4% strandP84233
FHistone H4protein8262% helix, 9% strandP62799
GHistone H2Aprotein10752% helix, 7% strandQ6AZJ8
IDNA (147-mer)dna144——
JDNA (147-mer)dna145——
KPolycomb complex protein bmi-1protein10538% helix, 18% strandP35226
LE3 ubiquitin-protein ligase RING2, ubiquitin-conjugating enzyme E2 D3 (EC 6.3.2.-, 6.3.2.19)protein25422% helix, 17% strandQ99496, P61077
MPolycomb complex protein bmi-1protein9734% helix, 19% strandP35226
NE3 ubiquitin-protein ligase RING2, ubiquitin-conjugating enzyme E2 D3 (EC 6.3.2.-, 6.3.2.19)protein25332% helix, 17% strandQ99496, 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110880.820.83109empty
28700.780.8179empty
33900.740.8544empty
43450.740.8641empty
58840.740.7899empty

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

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