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5-se-T2/4-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant

Analyse 5-se-T2/4-DNA and native RNA hybrid in complex with RNase H catalytic domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5USG
Type
protein + DNA + RNA
Length
144 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'-R(*UP*CP*GP*AP*CP*A)-3'); DNA (5'-D(*AP*(T5S)P*GP*(T5S)P*CP*G)-3'); Ribonuclease H
EC
3.1.26.4
UniProt
Q9KEI9
Ligands
MG
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BRNA (5'-R(*UP*CP*GP*AP*CP*A)-3')rna6——
CDNA (5'-D(*AP*(T5S)P*GP*(T5S)P*CP*G)-3')dna6——
ARibonuclease H (EC 3.1.26.4)protein13233% helix, 27% strandQ9KEI9

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.270.7312MG

Interfaces

3 interfaces between chains.

  • C–A · 432 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–A · 292 Ų buried · 15 hydrogen bonds · protein-nucleic
  • B–C · 269 Ų buried · 20 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 5USG · 5-Se-T2/4-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9KEI9 · AlphaFold monomer V2.0 prediction for ribonuclease H (Q9KEI9) · a predicted model of the same protein · chain A against A, TM-score 1.00

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