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Crystal structure of the complex between human fmrp rgg motif and G- quadruplex RNA, iridium hexammine bound form.

Analyse Crystal structure of the complex between human fmrp rgg motif and G- quadruplex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DE8
Type
protein + RNA
Length
98 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SC1; Fragile X mental retardation protein 1
UniProt
Q06787
Ligands
IRI, K

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSC1rna35——
BFragile X mental retardation protein 1protein140% helix, 0% strandQ06787
DFragile X mental retardation protein 1protein140% helix, 0% strandQ06787

Ligands and binding sites

  • IRI · Iridium hexammine ion · ligand · 5 copies · chains A, C
  • K · Potassium ion · metal · 2 copies · chains A, C

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

Interfaces

5 interfaces between chains.

  • A–B · 688 Ų buried · 33 hydrogen bonds · protein-nucleic
  • C–D · 646 Ų buried · 31 hydrogen bonds · protein-nucleic
  • A–C · 195 Ų buried · 7 hydrogen bonds · nucleic-nucleic
  • B–C · 46 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–D · 26 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 5DE8 · Crystal structure of the complex between human FMRP RGG motif and G-quadruplex RNA… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q06787 · AlphaFold monomer V2.0 prediction for synaptic functional regulator FMR1 (Q06787) · a predicted model of the same protein · chain D against A, TM-score 0.26

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