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MolNFT v1 · #168278 · protein + RNA

+3 extended HIV-1 reverse transcriptase initiation complex core (displaced state)

6WB2 · HIV-1 viral RNA genome fragment: “+3 extended HIV-1 reverse transcriptase initiation complex core (displaced state)”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #168278 on GenesisL1: 3D structure, binding…

PDB
6WB2
Type
protein + RNA
Length
1,021 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HIV-1 viral RNA genome fragment; TRNA lysine 3; Reverse TRANSCRIPTASE/RIBONUCLEASE H…
EC
2.7.7.49, 2.7.7.7, 3.1.26.13
UniProt
P03366
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 4 distinct chains · 33% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CHIV-1 viral RNA genome fragmentrna33——
DTRNA lysine 3rna42——
AReverse TRANSCRIPTASE/RIBONUCLEASE H (EC 2.7.7.49, 2.7.7.7, 3.1.26.13)protein54031% helix, 18% strandP03366
BReverse transcriptase P51 subunitprotein40634% helix, 16% strandP03366

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18760.850.86112empty
26500.770.8374empty
35450.750.8253empty
46120.730.8071empty
51590.730.9136empty

Interfaces

6 interfaces between chains.

  • A–B · 2267 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 1294 Ų buried · 95 hydrogen bonds · nucleic-nucleic
  • C–A · 815 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–A · 417 Ų buried · 3 hydrogen bonds · protein-nucleic
  • D–B · 64 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 6WB2 · +3 extended HIV-1 reverse transcriptase initiation complex core (displaced state) · the same entry in another collection · chain C against C, TM-score 1.00

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