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Three-dimensional structure of a heteroclitic antigen- antibody cross-reaction complex

Analyse Three-dimensional structure of a heteroclitic antigen- antibody cross-reaction… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JHL
Type
protein
Length
353 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
IGG1-kappa D11.15 fv (light chain); IGG1-kappa D11.15 fv (heavy chain); Pheasant egg…
UniProt
P00702
Pockets
5 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 16% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LIGG1-kappa D11.15 fv (light chain)protein1080% helix, 48% strand—
HIGG1-kappa D11.15 fv (heavy chain)protein1165% helix, 52% strand—
APheasant egg white lysozymeprotein12940% helix, 11% strandP00702

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11320.660.8825empty
21840.450.7523empty
3610.290.7417empty
4600.270.7317empty
5570.270.7314empty

Interfaces

3 interfaces between chains.

  • L–H · 788 Ų buried · 4 hydrogen bonds · protein-protein
  • H–A · 473 Ų buried · 6 hydrogen bonds · protein-protein
  • L–A · 241 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1JHL · Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex · the same entry in another collection · chain L against L, TM-score 1.00
  • P00702 · AlphaFold monomer V2.0 prediction for lysozyme C (P00702) · a predicted model of the same protein · chain A against A, TM-score 0.99

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