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Structure of SNF2-nucleosome complex in apo state

Analyse Structure of SNF2-nucleosome complex in apo state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z3L
Type
protein + DNA
Length
1,639 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.2; Histone H4; Histone H2A; Histone H2B 1.1; DNA (167-mer); Transcription…
EC
3.6.4.-
UniProt
P84233, P62799, Q6AZJ8, P02281, P22082
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 9 distinct chains · 54% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.2protein9866% helix, 3% strandP84233
BHistone H4protein8761% helix, 3% strandP62799
C, GHistone H2Aprotein10753% helix, 0% strandQ6AZJ8
D, HHistone H2B 1.1protein9371% helix, 0% strandP02281
EHistone H3.2protein9568% helix, 3% strandP84233
FHistone H4protein8655% helix, 3% strandP62799
IDNA (167-mer)dna146——
JDNA (167-mer)dna146——
OTranscription regulatory protein SNF2 (EC 3.6.4.-)protein58147% helix, 7% strandP22082

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17740.860.8989empty
211390.820.83102empty
38970.810.83103empty
41270.790.9631empty
53870.770.8756empty

Interfaces

41 interfaces between chains.

  • I–J · 6478 Ų buried · 423 hydrogen bonds · nucleic-nucleic
  • C–D · 2466 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 2444 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 2340 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 2300 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 5Z3L · Structure of Snf2-nucleosome complex in apo state · the same entry in another collection · chain O against O, TM-score 1.00
  • P22082 · AlphaFold monomer V2.0 prediction for transcription regulatory protein SNF2 (P22082) · a predicted model of the same protein · chain O against A, TM-score 0.93

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