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Structure of human adenosine deaminase acting on dsrna (ADAR2) bound to dsrna containing a 2'-deoxy BENNER'S base Z opposite the edited base

Analyse Structure of human adenosine deaminase acting on dsrna (ADAR2) bound to dsrna… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KFN
Type
protein + RNA
Length
785 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Double-stranded RNA-specific editase 1; GLI1 8AZ 23MER RNA; GLI1 1W5 23MER RNA
EC
3.5.4.37
UniProt
P78563
Ligands
IHP, ZN
Pockets
11 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADouble-stranded RNA-specific editase 1 (EC 3.5.4.37)protein38433% helix, 16% strandP78563
BGLI1 8AZ 23MER RNArna23——
CGLI1 1W5 23MER RNArna23——
DDouble-stranded RNA-specific editase 1 (EC 3.5.4.37)protein35534% helix, 17% strandP78563

Ligands and binding sites

  • IHP · Inositol hexakisphosphate · ligand · 2 copies · chains A, D
  • ZN · Zinc ion · metal · 2 copies · chains A, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13970.830.9241IHP
24400.820.9043IHP
311620.740.7791empty
43590.700.8340empty
54950.600.7527empty

Interfaces

6 interfaces between chains.

  • A–D · 1180 Ų buried · 29 hydrogen bonds · protein-protein
  • B–C · 1089 Ų buried · 103 hydrogen bonds · nucleic-nucleic
  • A–B · 777 Ų buried · 25 hydrogen bonds · protein-nucleic
  • A–C · 691 Ų buried · 19 hydrogen bonds · protein-nucleic
  • C–D · 22 Ų buried · 0 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 7KFN · Structure of Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA containing… · the same entry in another collection · chain A against A, TM-score 1.00
  • P78563 · AlphaFold monomer V2.0 prediction for double-stranded RNA-specific editase 1 (P78563) · a predicted model of the same protein · chain D against A, TM-score 1.00

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