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Monoclinic form of IGG1 Fab fragment (in complex with antigenic peptide) sharing same fv as IgA

Analyse Monoclinic form of IGG1 Fab fragment (in complex with antigenic peptide)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QO0
Type
protein
Length
441 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab fragment of immunoglobulin G1 light chain; Fab fragment of immunoglobulin G1 heavy…
UniProt
P07437
Pockets
5 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFab fragment of immunoglobulin G1 light chainprotein2198% helix, 50% strand—
BFab fragment of immunoglobulin G1 heavy chainprotein22010% helix, 50% strand—
CPeptide from tubulin beta chainprotein20% helix, 0% strandP07437

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16020.640.7556empty
21340.440.7622empty
3630.300.7520empty
4570.280.7417empty
5550.270.7418GOL

Interfaces

3 interfaces between chains.

  • A–B · 1789 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 145 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 133 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3QO0 · Monoclinic form of IgG1 Fab fragment (in complex with antigenic peptide) sharing same Fv… · the same entry in another collection · chain A against A, TM-score 1.00

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