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MolNFT v1 · #163120 · protein

Cryo-EM structure of alpha-synuclein fibril polymorph 2B

6RTB: “Cryo-EM structure of alpha-synuclein fibril polymorph 2B”. Electron microscopy, 5 pockets (best druggability 0.69). MolNFT v1 #163120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6RTB
Type
protein
Length
699 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-synuclein
UniProt
P37840
Pockets
5 · best druggability 0.69

Structure

electron microscopy · 2 distinct chains · 0% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
H, C, I, J, E, G, B, F, AAlpha-synucleinprotein700% helix, 44% strandP37840
DAlpha-synucleinprotein690% helix, 38% strandP37840

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12420.690.8543empty
2630.340.7714empty
3760.300.7314empty
4550.280.7414empty
5530.260.7418empty

Interfaces

19 interfaces between chains.

  • D–E · 2720 Ų buried · 62 hydrogen bonds · protein-protein
  • I–J · 2701 Ų buried · 60 hydrogen bonds · protein-protein
  • C–B · 2701 Ų buried · 61 hydrogen bonds · protein-protein
  • G–F · 2697 Ų buried · 69 hydrogen bonds · protein-protein
  • H–G · 2679 Ų buried · 70 hydrogen bonds · protein-protein

Compared structures

  • 6RTB · cryo-em structure of alpha-synuclein fibril polymorph 2B · the same entry in another collection · chain H against H, TM-score 1.00

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