MolNFT v1 · #102361 · protein

Humanised 3D6 Fab complexed to amyloid beta 1-8

4OJF · Humanised 3D6 Fab heavy chain: “Humanised 3D6 Fab complexed to amyloid beta 1-8”. X-ray diffraction, 7 pockets (best druggability 0.61). MolNFT v1 #102361 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OJF
Type: protein
Length: 444 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Humanised 3D6 Fab heavy chain; Humanised 3D6 Fab light chain; Amyloid beta A4 protein
UniProt: P05067
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Humanised 3D6 Fab heavy chain	protein	219	8% helix, 51% strand	—
L	Humanised 3D6 Fab light chain	protein	219	3% helix, 49% strand	—
A	Amyloid beta A4 protein	protein	6	50% helix, 0% strand	P05067

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	500	0.61	0.75	45	empty
2	107	0.51	0.82	28	empty
3	52	0.47	0.86	22	empty
4	72	0.34	0.76	19	empty
5	75	0.32	0.74	13	empty

Interfaces

3 interfaces between chains.

H–L · 1838 Å² buried · 22 hydrogen bonds · protein-protein
H–A · 350 Å² buried · 8 hydrogen bonds · protein-protein
L–A · 318 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4OJF · Humanised 3D6 Fab complexed to amyloid beta 1-8 · the same entry in another collection · chain H against H, TM-score 1.00
P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain A against A, TM-score 0.85

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P05067
Elsewhere: RCSB PDB 4OJF · PDBe 4OJF · UniProt P05067

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.