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Human immunodeficiency virus type 1 reverse transcriptase complexed with a 33-base nucleotide RNA pseudoknot

Analyse Human immunodeficiency virus type 1 reverse transcriptase complexed with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1HVU
Type
protein + RNA
Length
3,936 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (33 nucleotide RNA pseudoknot); Protein (HIV-1 reverse transcriptase)
EC
2.7.7.49
UniProt
P03366
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, F, I, LRNA (33 nucleotide RNA pseudoknot)rna30——
A, D, G, JProtein (HIV-1 reverse transcriptase) (EC 2.7.7.49)protein55432% helix, 22% strandP03366
B, E, H, KProtein (HIV-1 reverse transcriptase) (EC 2.7.7.49)protein40036% helix, 18% strandP03366

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19890.820.83114empty
29860.810.82118empty
37050.790.84112empty
46770.770.8289empty
56290.770.8382empty

Interfaces

15 interfaces between chains.

  • G–H · 1290 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1288 Ų buried · 10 hydrogen bonds · protein-protein
  • J–K · 1288 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 1281 Ų buried · 10 hydrogen bonds · protein-protein
  • I–G · 433 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 1HVU · Human immunodeficiency virus type 1 reverse transcriptase complexed with a 33-base… · the same entry in another collection · chain C against C, TM-score 1.00

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