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Discovery and optimization of a natural HIV-1 entry inhibitor targeting the GP41 fusion peptide

Analyse Discovery and optimization of a natural HIV-1 entry inhibitor targeting the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JNR
Type
protein
Length
43 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VIR165; Env polyprotein
UniProt
Q72502

Structure

solution nmr · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVIR165protein200% helix, 0% strand—
BEnv polyproteinprotein230% helix, 0% strandQ72502

Interfaces

1 interface between chains.

  • A–B · 467 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2JNR · Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion… · the same entry in another collection · chain A against A, TM-score 1.00

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