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Aducanumab abeta complex

Analyse Aducanumab abeta complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6CO3
Type: protein
Length: 435 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab light chain; Fab heavy chain; Ala-glu-phe-arg-his-asp
Ligands: SO4
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Fab light chain	protein	211	7% helix, 52% strand	—
H	Fab heavy chain	protein	218	9% helix, 52% strand	—
Q	Ala-glu-phe-arg-his-asp	protein	6	0% helix, 17% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · chains H, Q

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	355	0.54	0.74	46	empty
2	83	0.31	0.73	20	empty

Interfaces

3 interfaces between chains.

L–H · 1707 Å² buried · 13 hydrogen bonds · protein-protein
L–Q · 305 Å² buried · 4 hydrogen bonds · protein-protein
H–Q · 282 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6CO3 · aducanumab abeta complex · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6CO3 · PDBe 6CO3

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