GL1X · GenesisL1 explorer

MolNFT v1 · #6058 · protein

F124 Fab fragment from a monoclonal anti-PRES2 antibody

1F11 · F124 immunoglobulin (kappa light chain): “F124 Fab fragment from a monoclonal anti-PRES2 antibody”. X-ray diffraction, 9 pockets (best druggability 0.70). MolNFT v1 #6058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1F11
Type
protein
Length
868 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
F124 immunoglobulin (kappa light chain); F124 immunoglobulin (IGG1 heavy chain)
UniProt
P01665, P01837, Q65ZR6, P01869
Pockets
9 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CF124 immunoglobulin (kappa light chain)protein2166% helix, 52% strandP01665, P01837
B, DF124 immunoglobulin (IGG1 heavy chain)protein2189% helix, 50% strandQ65ZR6, P01869

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15980.700.7840empty
24710.600.7545empty
34510.590.7445empty
4900.460.8123empty
51230.380.7427empty

Interfaces

5 interfaces between chains.

  • C–D · 1701 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1654 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 306 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 156 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 145 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1F11 · F124 Fab fragment from a monoclonal anti-PRES2 antibody · the same entry in another collection · chain A against A, TM-score 1.00
  • P01869 · AlphaFold monomer V2.0 prediction for ig gamma-1 chain C region, membrane-bound form… · a predicted model of the same protein · chain B against A, TM-score 0.53
  • P01665 · AlphaFold monomer V2.0 prediction for ig kappa chain V-III region pc 7043 (P01665) · a predicted model of the same protein · chain A against A, TM-score 0.51
  • P01837 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01837) · a predicted model of the same protein · chain A against A, TM-score 0.47

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