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The crystal structure of an Fab fragment that binds to the melanoma-associated GD2 ganglioside

Analyse The crystal structure of an Fab fragment that binds to the melanoma-associated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PSK
Type
protein
Length
411 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody
UniProt
P01837
Pockets
4 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LAntibodyprotein2135% helix, 50% strandP01837
HAntibodyprotein1985% helix, 53% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12710.510.7447empty
2520.440.8317empty
3790.330.7518empty
4620.300.7416empty

Interfaces

1 interface between chains.

  • L–H · 1711 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1PSK · The crystal structure of an Fab fragment that binds to the melanoma-associated GD2… · the same entry in another collection · chain L against L, TM-score 1.00
  • P01837 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01837) · a predicted model of the same protein · chain L against A, TM-score 0.49

Analyse

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