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Crystal structure of SPINDLIN1 bound to H3(K4ME3-K9ME3) peptide

Analyse Crystal structure of SPINDLIN1 bound to H3(K4ME3-K9ME3) peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BQZ
Type
protein
Length
875 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spindlin-1; H3(K4ME3-K9ME3) peptide
UniProt
Q9Y657, Q71DI3
Pockets
13 · best druggability 0.53

Structure

x-ray diffraction · 6 distinct chains · 5% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpindlin-1protein2152% helix, 39% strandQ9Y657
BH3(K4ME3-K9ME3) peptideprotein1331% helix, 8% strandQ71DI3
CSpindlin-1protein2083% helix, 41% strandQ9Y657
D, F, HH3(K4ME3-K9ME3) peptideprotein1030% helix, 20% strandQ71DI3
ESpindlin-1protein2046% helix, 42% strandQ9Y657
GSpindlin-1protein2057% helix, 42% strandQ9Y657

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11800.530.7924empty
21160.500.8122empty
31620.410.7327empty
41320.400.7421empty
51200.370.7422empty

Interfaces

8 interfaces between chains.

  • A–C · 1263 Ų buried · 9 hydrogen bonds · protein-protein
  • E–G · 1226 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 957 Ų buried · 13 hydrogen bonds · protein-protein
  • G–H · 872 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 850 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (methylation).

Compared structures

  • 7BQZ · Crystal Structure of Spindlin1 bound to H3(K4me3-K9me3) peptide · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9Y657 · AlphaFold monomer V2.0 prediction for spindlin-1 (Q9Y657) · a predicted model of the same protein · chain E against A, TM-score 0.96

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