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BDBV223 Fab bound to synthetic peptide of bundibugyo virus glycoprotein stalk

Analyse BDBV223 Fab bound to synthetic peptide of bundibugyo virus glycoprotein stalk in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N7J
Type
protein
Length
900 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BDBV223 antibody heavy chain; BDBV223 antibody light chain; Envelope glycoprotein
UniProt
B8XCN0
Pockets
7 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABDBV223 antibody heavy chainprotein2235% helix, 48% strand—
HBDBV223 antibody heavy chainprotein2194% helix, 47% strand—
B, LBDBV223 antibody light chainprotein2146% helix, 50% strand—
C, DEnvelope glycoproteinprotein1547% helix, 0% strandB8XCN0

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14330.600.7645empty
23970.600.7642empty
31730.450.7524empty
4900.420.7916empty
51220.410.7630empty

Interfaces

7 interfaces between chains.

  • H–L · 1842 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1840 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 621 Ų buried · 9 hydrogen bonds · protein-protein
  • H–C · 591 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 217 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 6N7J · BDBV223 Fab bound to synthetic peptide of Bundibugyo virus Glycoprotein Stalk · the same entry in another collection · chain A against A, TM-score 1.00

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