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+1 extended HIV-1 reverse transcriptase initiation complex core (pre- translocation state)

Analyse +1 extended HIV-1 reverse transcriptase initiation complex core (pre… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WAZ
Type
protein + RNA
Length
1,009 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reverse TRANSCRIPTASE/RIBONUCLEASE H; Reverse transcriptase P51 subunit; HIV-1 viral RNA…
EC
2.7.7.49, 2.7.7.7, 3.1.26.13
UniProt
P03366
Pockets
19 · best druggability 0.83

Structure

electron microscopy · 4 distinct chains · 32% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReverse TRANSCRIPTASE/RIBONUCLEASE H (EC 2.7.7.49, 2.7.7.7, 3.1.26.13)protein55029% helix, 15% strandP03366
BReverse transcriptase P51 subunitprotein40536% helix, 14% strandP03366
CHIV-1 viral RNA genome fragmentrna23——
DTRNA lysine 3rna31——

Pockets

19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111830.830.84101empty
28340.790.8277empty
31710.740.9122empty
42000.690.8736empty
51430.670.8828empty

Interfaces

5 interfaces between chains.

  • A–B · 2630 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1210 Ų buried · 101 hydrogen bonds · nucleic-nucleic
  • A–D · 619 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–C · 590 Ų buried · 9 hydrogen bonds · protein-nucleic
  • B–D · 53 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 6WAZ · +1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) · the same entry in another collection · chain A against A, TM-score 1.00

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