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Crystal structure of mus musculus (mm) endonuclease V in complex with a 23MER RNA oligo containing an inosine after a 15 min soak in 10 mm MG2+

Analyse Crystal structure of mus musculus (mm) endonuclease V in complex with a 23MER… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OZR
Type
protein + RNA
Length
521 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endonuclease V; DNA/RNA (23-mer)
EC
3.1.26.-
UniProt
Q8C9A2
Ligands
MG, K
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndonuclease V (EC 3.1.26.-)protein24334% helix, 23% strandQ8C9A2
BEndonuclease V (EC 3.1.26.-)protein24834% helix, 23% strandQ8C9A2
C, DDNA/RNA (23-mer)rna15——

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, C, B, D
  • K · Potassium ion · metal · 2 copies · chains A, C, B, D
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
  • TLA · L(+)-tartaric acid · additive · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19570.860.8849MG
2980.340.7415empty
3670.290.7314empty

Interfaces

6 interfaces between chains.

  • A–C · 819 Ų buried · 25 hydrogen bonds · protein-nucleic
  • B–D · 785 Ų buried · 23 hydrogen bonds · protein-nucleic
  • C–D · 599 Ų buried · 46 hydrogen bonds · nucleic-nucleic
  • B–C · 424 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–D · 399 Ų buried · 10 hydrogen bonds · protein-nucleic

Compared structures

  • 6OZR · Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8C9A2 · AlphaFold monomer V2.0 prediction for endonuclease V (Q8C9A2) · a predicted model of the same protein · chain B against A, TM-score 0.97

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