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D(ATTAGTTATAACTAAT) complexed with mmlv rt catalytic fragment

Analyse D(ATTAGTTATAACTAAT) complexed with mmlv rt catalytic fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2R2R
Type
protein + DNA
Length
271 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DTP*DA)-3'); DNA…
EC
2.7.7.49
UniProt
P03355
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DTP*DA)-3')dna8——
GDNA (5'-D(P*DTP*DAP*DAP*DCP*DTP*DAP*DAP*DT)-3')dna8——
AReverse transcriptase (EC 2.7.7.49)protein25531% helix, 22% strandP03355

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.520.7630empty
2590.360.7811empty
3670.330.7615empty

Interfaces

3 interfaces between chains.

  • B–G · 349 Ų buried · 32 hydrogen bonds · nucleic-nucleic
  • B–A · 235 Ų buried · 4 hydrogen bonds · protein-nucleic
  • G–A · 185 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 2R2R · d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment · the same entry in another collection · chain B against B, TM-score 1.00

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