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Structure of SHE3P amino terminus.

Analyse Structure of SHE3P amino terminus. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LL7
Type
protein
Length
722 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SWI5-dependent ho expression protein 3
UniProt
P38272
Ligands
DY, PT, SO4
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 6 distinct chains · 96% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASWI5-dependent ho expression protein 3protein9495% helix, 0% strandP38272
BSWI5-dependent ho expression protein 3protein8895% helix, 0% strandP38272
CSWI5-dependent ho expression protein 3protein9098% helix, 0% strandP38272
D, F, HSWI5-dependent ho expression protein 3protein9198% helix, 0% strandP38272
ESWI5-dependent ho expression protein 3protein9094% helix, 0% strandP38272
GSWI5-dependent ho expression protein 3protein8794% helix, 0% strandP38272

Ligands and binding sites

  • DY · Dysprosium ion · metal · 26 copies · chains A, B, E, G, C, D, F, H
  • PT · Platinum (II) ion · metal · 6 copies · chains A, F, B, E, C, G, D, H
  • SO4 · Sulfate ion · ion · 29 copies · chains A, E, F, G, B, H, C, D
  • EDO · 1,2-ethanediol · additive · 7 copies · chains B, D, E, F, H
  • IPA · Isopropyl alcohol · additive · 6 copies · chains C, D, E, F
  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A, B, E

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.740.9819PT
211400.730.7783DY, SO4, DTT, IPA
3590.720.9817PT
4520.710.9917PT
56530.680.7660DY

Interfaces

18 interfaces between chains.

  • D–E · 1313 Ų buried · 19 hydrogen bonds · protein-protein
  • B–H · 1301 Ų buried · 18 hydrogen bonds · protein-protein
  • A–F · 1300 Ų buried · 17 hydrogen bonds · protein-protein
  • B–E · 1281 Ų buried · 14 hydrogen bonds · protein-protein
  • C–G · 1269 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 4LL7 · Structure of She3p amino terminus. · the same entry in another collection · chain H against H, TM-score 1.00
  • P38272 · AlphaFold monomer V2.0 prediction for SWI5-dependent ho expression protein 3 (P38272) · a predicted model of the same protein · chain C against A, TM-score 0.92

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