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MolNFT v1 · #110532 · protein + DNA

Nucleosome disassembly by rsc and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis

4XZQ · Histone H3.2: “Nucleosome disassembly by rsc and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #110532 on GenesisL1: 3D structure, binding…

PDB
4XZQ
Type
protein + DNA
Length
1,046 residues
Chains
10
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)
UniProt
P84233, P62799, Q6AZJ8, P02281
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 64% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EHistone H3.2protein9863% helix, 4% strandP84233
B, FHistone H4protein7962% helix, 9% strandP62799
C, GHistone H2Aprotein10657% helix, 7% strandQ6AZJ8
D, HHistone H2B 1.1protein9374% helix, 4% strandP02281
IDNA (147-mer)dna147——
JDNA (147-mer)dna147——

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18550.800.8382empty
24230.770.8654empty
34610.760.8555empty
48100.680.7553empty
56420.670.7657empty

Interfaces

36 interfaces between chains.

  • I–J · 6470 Ų buried · 559 hydrogen bonds · nucleic-nucleic
  • C–D · 2653 Ų buried · 22 hydrogen bonds · protein-protein
  • G–H · 2614 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 2551 Ų buried · 25 hydrogen bonds · protein-protein
  • E–F · 2482 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (acetylation).

Compared structures

  • 4XZQ · Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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