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Crystal structure of mus musculus (mm) endonuclease V (K155M) in complex with a 23MER RNA oligo containing an inosine after a 100 min soak in 10 mm MN2+ and K+

Analyse Crystal structure of mus musculus (mm) endonuclease V (K155M) in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OZQ
Type
protein + RNA
Length
519 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endonuclease V; DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)…
EC
3.1.26.-
UniProt
Q8C9A2
Ligands
MN
Pockets
2 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 35% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndonuclease V (EC 3.1.26.-)protein24335% helix, 24% strandQ8C9A2
BEndonuclease V (EC 3.1.26.-)protein24635% helix, 24% strandQ8C9A2
C, DDNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)- R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3')rna15——

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 6 copies · chains A, C, B, D
  • GOL · Glycerol · additive · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110730.860.8857MN
2690.270.7315empty

Interfaces

6 interfaces between chains.

  • A–C · 804 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–D · 798 Ų buried · 22 hydrogen bonds · protein-nucleic
  • C–D · 592 Ų buried · 50 hydrogen bonds · nucleic-nucleic
  • B–C · 445 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–D · 371 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 6OZQ · Crystal structure of Mus musculus (Mm) Endonuclease V (K155M) in complex with a 23mer RNA… · 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 A against A, TM-score 0.97

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