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MolNFT v1 · #50609 · protein

Structure of the het-S(218-289) prion in its amyloid form obtained by solid-state NMR

2RNM · Small S protein: “Structure of the het-S(218-289) prion in its amyloid form obtained by solid-state NMR”. Solution nmr, 8 pockets (best druggability 0.70). MolNFT v1 #50609 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2RNM
Type
protein
Length
395 residues
Chains
5
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small S protein
UniProt
Q03689
Pockets
8 · best druggability 0.70

Structure

solution nmr · 1 distinct chain · 0% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, ESmall S proteinprotein790% helix, 35% strandQ03689

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.700.9031empty
25440.690.7957empty
32770.640.8158empty
41440.590.8436empty
5650.440.8317empty

Interfaces

9 interfaces between chains.

  • B–C · 2244 Ų buried · 40 hydrogen bonds · protein-protein
  • C–D · 2148 Ų buried · 44 hydrogen bonds · protein-protein
  • A–B · 1826 Ų buried · 40 hydrogen bonds · protein-protein
  • D–E · 1790 Ų buried · 42 hydrogen bonds · protein-protein
  • B–D · 177 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2RNM · Structure of The HET-s(218-289) prion in its amyloid form obtained by solid-state NMR · the same entry in another collection · chain A against A, TM-score 1.00
  • Q03689 · AlphaFold monomer V2.0 prediction for heterokaryon incompatibility protein S (Q03689) · a predicted model of the same protein · chain A against A, TM-score 0.66

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