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Xmrv reverse transcriptase in complex with RNA/DNA hybrid

Analyse Xmrv reverse transcriptase in complex with RNA/DNA hybrid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HKQ
Type
protein + DNA + RNA
Length
471 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reverse TRANSCRIPTASE/RIBONUCLEASE H P80; RNA (5'…
EC
2.7.7.49, 2.7.7.7, 3.1.26.4
UniProt
A1Z651
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReverse TRANSCRIPTASE/RIBONUCLEASE H P80 (EC 2.7.7.49, 2.7.7.7, 3.1.26.4)protein44136% helix, 23% strandA1Z651
ERNA (5'- R(*AP*AP*CP*AP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP* CP*AP*U)-3')rna16——
FDNA (5'- D(*TP*GP*GP*AP*AP*TP*CP*A*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)- 3')dna14——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.770.9730empty
22730.620.8031empty
3960.590.8818empty
42840.480.7327empty
5550.350.7814empty

Interfaces

3 interfaces between chains.

  • A–E · 1019 Ų buried · 11 hydrogen bonds · protein-nucleic
  • E–F · 704 Ų buried · 87 hydrogen bonds · nucleic-nucleic
  • A–F · 658 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 4HKQ · XMRV reverse transcriptase in complex with RNA/DNA hybrid · the same entry in another collection · chain A against A, TM-score 1.00

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