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Crystal structure of the apo antibody fragment (Fab) raised against C- terminal domain of ebola nucleoprotein (ebov, tafv, bdbv strains)

Analyse Crystal structure of the apo antibody fragment (Fab) raised against C- terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VZ1
Type
protein
Length
827 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apo antibody Fab light chain; Apo antibody Fab heavy chain
Ligands
ZN
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApo antibody Fab light chainprotein2005% helix, 54% strand—
BApo antibody Fab heavy chainprotein2178% helix, 52% strand—
CApo antibody Fab light chainprotein1967% helix, 53% strand—
DApo antibody Fab heavy chainprotein2146% helix, 54% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18380.750.80110empty
27130.740.8095empty
33820.630.7842empty
42460.590.8038empty
5800.420.8017empty

Interfaces

5 interfaces between chains.

  • C–D · 1824 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1718 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 1428 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 81 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 62 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 5VZ1 · Crystal structure of the Apo Antibody fragment (Fab) raised against C-terminal domain of… · the same entry in another collection · chain A against A, TM-score 1.00

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