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Human REXO2 bound to pag

Analyse Human REXO2 bound to pag in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N6K
Type
protein + RNA
Length
385 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA exonuclease 2 HOMOLOG,SMALL fragment nuclease; RNA (5'-R(P*AP*G)-3')
EC
3.1.-.-
UniProt
Q9Y3B8
Ligands
NA
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA exonuclease 2 HOMOLOG,SMALL fragment nuclease (EC 3.1.-.-)protein19551% helix, 17% strandQ9Y3B8
D, CRNA (5'-R(P*AP*G)-3')rna2——
BRNA exonuclease 2 HOMOLOG,SMALL fragment nuclease (EC 3.1.-.-)protein18649% helix, 18% strandQ9Y3B8

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, D, B, C
  • MLI · Malonate ion · additive · 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
12660.520.7533empty
2930.490.8218empty
3840.450.8118NA

Interfaces

5 interfaces between chains.

  • A–B · 1928 Ų buried · 31 hydrogen bonds · protein-protein
  • A–D · 458 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–C · 445 Ų buried · 12 hydrogen bonds · protein-nucleic
  • D–B · 138 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–C · 135 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 6N6K · Human REXO2 bound to pAG · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y3B8 · AlphaFold monomer V2.0 prediction for oligoribonuclease, mitochondrial (Q9Y3B8) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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