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Engineered variant of I-onui meganuclease with improved thermostability

Analyse Engineered variant of I-onui meganuclease with improved thermostability in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6UVW
Type
protein + DNA
Length
699 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
I-onui-E-therm; DNA (27-mer)
Ligands
CA
Pockets
14 · best druggability 0.64

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AI-onui-E-thermprotein29551% helix, 22% strand—
B, EDNA (27-mer)dna27——
C, FDNA (27-mer)dna27——
DI-onui-E-thermprotein29650% helix, 22% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A, B, C, D, E, F

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

Pockets

14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14110.640.7865empty
21380.630.8730empty
31860.610.8328empty
43310.600.7851CA
5700.470.8416empty

Interfaces

7 interfaces between chains.

  • A–B · 1674 Ų buried · 28 hydrogen bonds · protein-nucleic
  • D–E · 1538 Ų buried · 25 hydrogen bonds · protein-nucleic
  • A–C · 1485 Ų buried · 38 hydrogen bonds · protein-nucleic
  • D–F · 1381 Ų buried · 35 hydrogen bonds · protein-nucleic
  • E–F · 1310 Ų buried · 108 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6UVW · Engineered variant of I-OnuI meganuclease with improved thermostability · the same entry in another collection · chain A against A, TM-score 1.00

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