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MolNFT v1 · #15308 · protein

Crystal structure of yeast elongation factor 2 in complex with sordarin

1N0U: “Crystal structure of yeast elongation factor 2 in complex with sordarin”. X-ray diffraction, 1 ligand (SO1), 6 pockets (best druggability 0.72). MolNFT v1 #15308 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1N0U
Type
protein
Length
819 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Elongation factor 2
UniProt
P32324
Ligands
SO1
Pockets
6 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElongation factor 2protein81938% helix, 26% strandP32324

Ligands and binding sites

  • SO1 · [1R-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-O-methyl-beta-D-altropyranosyloxy)methyl]-4-formyl-4,4A,5,6,7,7A,8,8A-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-S-indacene-3A(1H)-carboxylic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17210.720.7867empty
22500.620.8037SO1
32150.520.7731empty
4580.370.8015empty
51110.360.7421empty

Compared structures

  • 1N0U · Crystal structure of yeast elongation factor 2 in complex with sordarin · the same entry in another collection · chain A against A, TM-score 1.00
  • P32324 · AlphaFold monomer V2.0 prediction for elongation factor 2 (P32324) · a predicted model of the same protein · chain A against A, TM-score 0.63

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