MolNFT v1 · #170166 · protein

Multiple system atrophy type II-2 alpha-synuclein filament

6XYQ: “Multiple system atrophy type II-2 alpha-synuclein filament”. Electron microscopy, 7 pockets (best druggability 0.73). MolNFT v1 #170166 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XYQ
Type: protein
Length: 725 residues
Chains: 10
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-synuclein
UniProt: P37840
Pockets: 7 · best druggability 0.73

Structure

electron microscopy · 2 distinct chains · 0% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G, I	Alpha-synuclein	protein	81	0% helix, 52% strand	P37840
B, D, F, H, J	Alpha-synuclein	protein	64	0% helix, 48% strand	P37840

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	311	0.73	0.86	44	empty
2	451	0.72	0.82	43	empty
3	421	0.71	0.82	40	empty
4	112	0.65	0.89	28	empty
5	101	0.63	0.89	35	empty

Interfaces

30 interfaces between chains.

G–I · 3060 Å² buried · 97 hydrogen bonds · protein-protein
A–I · 3058 Å² buried · 94 hydrogen bonds · protein-protein
A–E · 3049 Å² buried · 97 hydrogen bonds · protein-protein
C–E · 3047 Å² buried · 98 hydrogen bonds · protein-protein
H–J · 2457 Å² buried · 83 hydrogen bonds · protein-protein

Compared structures

6XYQ · Multiple system atrophy Type II-2 alpha-synuclein filament · the same entry in another collection · chain A against A, 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
Every structure of UniProt P37840
Elsewhere: RCSB PDB 6XYQ · PDBe 6XYQ · UniProt P37840

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