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Crystal structure of antibody against schizophyllan in complex with laminarihexaose

Analyse Crystal structure of antibody against schizophyllan 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
6EV2
Type
protein
Length
1,731 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heavy chain; Light chain
Ligands
BGC
Pockets
20 · best druggability 0.62

Structure

x-ray diffraction · 6 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeavy chainprotein2208% helix, 50% strand—
B, DLight chainprotein2176% helix, 52% strand—
CHeavy chainprotein2228% helix, 51% strand—
EHeavy chainprotein2147% helix, 51% strand—
F, HLight chainprotein2136% helix, 53% strand—
GHeavy chainprotein2157% helix, 51% strand—

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 3 copies · chains C, D, A, B

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14700.620.7657empty
24110.610.7656empty
3870.550.8620empty
4640.530.8817empty
5570.530.8922empty

Interfaces

8 interfaces between chains.

  • C–D · 2083 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 2003 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 1839 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 1800 Ų buried · 13 hydrogen bonds · protein-protein
  • B–F · 448 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 disulfide (disulfide).

Compared structures

  • 6EV2 · Crystal structure of antibody against schizophyllan in complex with laminarihexaose · the same entry in another collection · chain C against C, TM-score 1.00

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