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Structure of an unusual 3-methyladenine DNA glycosylase II (alka) from deinococcus radiodurans

Analyse Structure of an unusual 3-methyladenine DNA glycosylase II (alka) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2YG9
Type
protein
Length
413 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-3-methyladenine glycosidase II, putative
UniProt
Q9RRB0
Ligands
NI, CL
Pockets
8 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-3-methyladenine glycosidase II, putativeprotein20759% helix, 0% strandQ9RRB0
BDNA-3-methyladenine glycosidase II, putativeprotein20659% helix, 0% strandQ9RRB0

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.420.7722empty
2810.420.8017empty
3930.390.7721empty
41200.380.7416empty
51240.380.7417empty

Interfaces

1 interface between chains.

  • A–B · 169 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2YG9 · Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus… · the same entry in another collection · chain A against A, TM-score 1.00

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