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

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
3D0V
Type
protein
Length
444 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2F5 Fab heavy chain; 2F5 Fab light chain; GP41 peptide lleldkwaslw
UniProt
Q7SVL4
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 5% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2F5 Fab heavy chainprotein2146% helix, 51% strand—
B2F5 Fab light chainprotein2215% helix, 51% strand—
CGP41 peptide lleldkwaslwprotein90% helix, 22% strandQ7SVL4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13730.560.7549empty
2640.300.7414empty

Interfaces

3 interfaces between chains.

  • A–B · 1781 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 362 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 344 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3D0V · 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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