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The crystal structure of the jaa-F11 monoclonal antibody Fab fragment

Analyse The crystal structure of the jaa-F11 monoclonal antibody Fab fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GNM
Type
protein
Length
435 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Jaa-F11 Fab antibody fragment, light chain; Jaa-F11 Fab antibody fragment, heavy chain
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LJaa-F11 Fab antibody fragment, light chainprotein2177% helix, 54% strand—
HJaa-F11 Fab antibody fragment, heavy chainprotein2188% helix, 52% strand—

Ligands and binding sites

  • 1PE · Pentaethylene glycol · additive · chains L, H
  • EDO · 1,2-ethanediol · additive · chains L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18070.680.7573empty
2560.470.8519empty
31350.430.7632empty
4850.380.7616empty
51070.370.7420empty

Interfaces

1 interface between chains.

  • L–H · 1870 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3GNM · The crystal structure of the JAA-F11 monoclonal antibody Fab fragment · the same entry in another collection · chain L against L, TM-score 1.00

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