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Crystal structure of SMARCAL1 harp substrate recognition domain

Analyse Crystal structure of SMARCAL1 harp substrate recognition domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4O66
Type
protein
Length
274 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily a-like…
EC
3.6.4.-
UniProt
Q8BJL0
Ligands
NA, SO4
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily a-like protein 1 (EC 3.6.4.-)protein6730% helix, 39% strandQ8BJL0
C, DSWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily a-like protein 1 (EC 3.6.4.-)protein7029% helix, 37% strandQ8BJL0

Ligands and binding sites

  • NA · Sodium ion · metal · chains D
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13950.800.8951SO4
2830.330.7313empty
3510.300.7615empty
4520.260.7313empty

Interfaces

5 interfaces between chains.

  • C–D · 2015 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 1737 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 294 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 282 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 47 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4O66 · Crystal Structure of SMARCAL1 HARP substrate recognition domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8BJL0 · AlphaFold monomer V2.0 prediction for SWI/SNF-related matrix- associated actin-dependent… · a predicted model of the same protein · chain A against A, TM-score 0.73

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