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Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in complex with GP41 peptide leldkwasl

Analyse Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1U8K
Type
protein
Length
451 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody 2F5 (light chain); Antibody 2F5 (heavy chain); GP41 peptide
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntibody 2F5 (light chain)protein2145% helix, 52% strand—
BAntibody 2F5 (heavy chain)protein22810% helix, 51% strand—
CGP41 peptideprotein90% helix, 22% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13880.580.7549empty
21580.470.7724empty

Interfaces

3 interfaces between chains.

  • A–B · 1909 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 380 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 286 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1U8K · Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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