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Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-related peptide

Analyse Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-related peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CFN
Type
protein
Length
437 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (IGG2A kappa antibody CB41 (light chain)); Protein (IGG2A-kappa antibody CB41…
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (IGG2A kappa antibody CB41 (light chain))protein2146% helix, 50% strand—
BProtein (IGG2A-kappa antibody CB41 (heavy chain))protein2139% helix, 53% strand—
CProtein (bound peptide)protein100% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12960.530.7541empty
21160.430.7717empty
3830.330.7416empty
4540.300.7515empty

Interfaces

3 interfaces between chains.

  • A–B · 1784 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 444 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 295 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • 1CFN · Anti-P24 (HIV-1) Fab fragment CB41 complexed with an epitope-related peptide · the same entry in another collection · chain A against A, TM-score 1.00

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