MolNFT v1 · #45351 · protein

Atomic-resolution structure of alpha-synuclein fibrils

2N0A: “Atomic-resolution structure of alpha-synuclein fibrils”. Solid-state nmr, 12 pockets (best druggability 0.84). MolNFT v1 #45351 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2N0A
Type: protein
Length: 1,400 residues
Chains: 10
Method: solid-state nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-synuclein
UniProt: P37840
Pockets: 12 · best druggability 0.84

Structure

solid-state nmr · 1 distinct chain · 2% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Alpha-synuclein	protein	140	2% helix, 34% strand	P37840

Pockets

12 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	1034	0.84	0.85	96	empty
2	329	0.78	0.89	51	empty
3	108	0.74	0.95	57	empty
4	670	0.66	0.75	77	empty
5	368	0.55	0.74	39	empty

Interfaces

24 interfaces between chains.

G–H · 3117 Å² buried · 94 hydrogen bonds · protein-protein
C–D · 3040 Å² buried · 91 hydrogen bonds · protein-protein
E–F · 3031 Å² buried · 91 hydrogen bonds · protein-protein
I–J · 3023 Å² buried · 97 hydrogen bonds · protein-protein
D–E · 3022 Å² buried · 90 hydrogen bonds · protein-protein

Compared structures

2N0A · Atomic-resolution structure of alpha-synuclein fibrils · 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 2N0A · PDBe 2N0A · UniProt P37840

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