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Crystal structure of endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site

Analyse Crystal structure of endonuclease Q complex with 27-mer duplex substrate with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7K32
Type
protein + DNA
Length
449 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endonuclease Q; DNA (27-mer)
UniProt
I6V2I0
Ligands
ZN, MG
Pockets
7 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndonuclease Qprotein39534% helix, 17% strandI6V2I0
BDNA (27-mer)dna27——
CDNA (27-mer)dna27——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, C
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.690.9715empty
27760.670.7552empty
33950.660.8036empty
4580.400.8119empty
51110.390.7617empty

Interfaces

3 interfaces between chains.

  • B–C · 1189 Ų buried · 104 hydrogen bonds · nucleic-nucleic
  • A–C · 761 Ų buried · 19 hydrogen bonds · protein-nucleic
  • A–B · 572 Ų buried · 8 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 7K32 · Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic… · the same entry in another collection · chain A against A, TM-score 1.00

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