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Crystal structure of a human anti-zikv-denv neutralizing antibody MZ24 isolated following zpiv vaccination

Analyse Crystal structure of a human anti-zikv-denv neutralizing antibody MZ24 isolated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NIS
Type
protein
Length
439 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MZ24 antibody heavy chain; MZ24 antibody light chain
Ligands
CL
Pockets
6 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HMZ24 antibody heavy chainprotein2234% helix, 55% strand—
LMZ24 antibody light chainprotein2166% helix, 49% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 8 copies · chains H, L
  • GOL · Glycerol · additive · 2 copies · chains L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13570.580.7651CL
21310.450.7725CL
3710.440.8218empty
4900.430.7919empty
5590.360.7918empty

Interfaces

1 interface between chains.

  • H–L · 2046 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6NIS · Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ24 isolated following… · the same entry in another collection · chain H against H, TM-score 1.00

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