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Crystal structure of potent neutralizing antibody 10-40 in complex with sarbecovirus bat RATG13 receptor-binding domain

Analyse Crystal structure of potent neutralizing antibody 10-40 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TTX
Type
protein
Length
635 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; 1040 heavy chain; 1040 light chain
UniProt
A0A6B9WHD3
Ligands
NAG
Pockets
8 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoproteinprotein19511% helix, 28% strandA0A6B9WHD3
H1040 heavy chainprotein2275% helix, 50% strand—
L1040 light chainprotein2136% helix, 49% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15750.610.7456empty
22020.550.7930empty
32400.520.7640empty
41150.420.7722empty
5550.390.8120empty

Interfaces

3 interfaces between chains.

  • H–L · 1823 Ų buried · 20 hydrogen bonds · protein-protein
  • A–H · 779 Ų buried · 12 hydrogen bonds · protein-protein
  • A–L · 352 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7TTX · Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat… · the same entry in another collection · chain A against A, TM-score 1.00

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