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Crystal structure of the SIR3 bah domain in complex with a nucleosome core particle.

Analyse Crystal structure of the SIR3 bah domain in complex with a nucleosome core… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TU4
Type
protein + DNA
Length
1,491 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.2; Histone H4; Histone H2A; Histone H2B 1.1; Regulatory protein SIR3; DNA…
UniProt
P84233, P62799, Q6AZJ8, P02281, P06701
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 10 distinct chains · 46% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.2protein9864% helix, 4% strandP84233
BHistone H4protein8955% helix, 7% strandP62799
C, GHistone H2Aprotein10753% helix, 6% strandQ6AZJ8
D, HHistone H2B 1.1protein9374% helix, 4% strandP02281
EHistone H3.2protein9565% helix, 4% strandP84233
FHistone H4protein9056% helix, 7% strandP62799
KRegulatory protein SIR3protein21424% helix, 32% strandP06701
LRegulatory protein SIR3protein21326% helix, 31% strandP06701
IDNA (146-mer)dna146——
JDNA (146-mer)dna146——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17720.810.8585empty
27750.790.8377empty
35460.760.8354empty
43910.750.8554empty
54540.750.8449empty

Interfaces

47 interfaces between chains.

  • I–J · 6599 Ų buried · 669 hydrogen bonds · nucleic-nucleic
  • A–B · 2650 Ų buried · 26 hydrogen bonds · protein-protein
  • E–F · 2640 Ų buried · 23 hydrogen bonds · protein-protein
  • C–D · 2596 Ų buried · 25 hydrogen bonds · protein-protein
  • G–H · 2571 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 3TU4 · Crystal structure of the Sir3 BAH domain in complex with a nucleosome core particle. · the same entry in another collection · chain J against J, TM-score 1.00

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