GL1X · GenesisL1 explorer

MolNFT v1 · #145427 · protein

Aducanumab apo Fab

6CNR · Aducanumab light chain: “Aducanumab apo Fab”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.53). MolNFT v1 #145427 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6CNR
Type
protein
Length
430 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aducanumab light chain; Aducanumab heavy chain
Ligands
SO4
Pockets
2 · best druggability 0.53

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
LAducanumab light chainprotein2116% helix, 51% strand—
HAducanumab heavy chainprotein2198% helix, 50% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains 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
13080.530.7440empty
21370.400.7431empty

Interfaces

1 interface between chains.

  • L–H · 1797 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6CNR · aducanumab apo Fab · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

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