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MolNFT v1 · #4348 · protein

The structural basis of repertoire shift in an immune response to phosphocholine

1DL7 · Protein (antibody M3C65 (light chain)): “The structural basis of repertoire shift in an immune response to phosphocholine”. X-ray diffraction, 1 ligand (NCH), 2 pockets (best druggability 0.66). MolNFT v1 #4348 on GenesisL1: 3D…

PDB
1DL7
Type
protein
Length
221 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (antibody M3C65 (light chain)); Protein (antibody M3C65 (heavy chain))
Ligands
NCH
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LProtein (antibody M3C65 (light chain))protein1093% helix, 50% strand—
HProtein (antibody M3C65 (heavy chain))protein1125% helix, 37% strand—

Ligands and binding sites

  • NCH · P-nitrophenyl-phosphocholine · ligand · chains L, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.660.8728NCH
2770.310.7424empty

Interfaces

1 interface between chains.

  • L–H · 723 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1DL7 · The structural basis of repertoire shift in an immune response to phosphocholine · the same entry in another collection · chain L against L, TM-score 1.00

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