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MolNFT v1 · #47787 · protein

Fitted structure of adpr-EEF2 in the 80S:ADPR-EEF2:GDP:SORDARIN cryo- EM reconstruction

2P8Y · Elongation factor 2: “Fitted structure of adpr-EEF2 in the 80S:ADPR-EEF2:GDP:SORDARIN cryo- EM reconstruction”. Electron microscopy, 3 ligands (APR, SO1, GDP), 8 pockets (best druggability 0.77). MolNFT v1 #47787 on GenesisL1: 3D…

PDB
2P8Y
Type
protein
Length
814 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Elongation factor 2
UniProt
P32324
Ligands
APR, SO1, GDP
Pockets
8 · best druggability 0.77

Structure

electron microscopy · 1 distinct chain · 37% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TElongation factor 2protein81437% helix, 22% strandP32324

Ligands and binding sites

  • APR · Adenosine-5-diphosphoribose · ligand · chains T
  • 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 T
  • GDP · Guanosine-5'-diphosphate · ligand · chains T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.770.9529empty
25910.760.8280empty
35900.740.8165SO1
46350.680.7777empty
5810.390.7717empty

Modifications

Observed in the structure: 4 covalent, 1 modified (covalent ligand, nonstandard).

Compared structures

  • 2P8Y · Fitted structure of ADPR-eEF2 in the 80S:ADPR-eEF2:GDP:sordarin cryo-EM reconstruction · the same entry in another collection · chain T against T, TM-score 1.00
  • P32324 · AlphaFold monomer V2.0 prediction for elongation factor 2 (P32324) · a predicted model of the same protein · chain T against A, TM-score 0.67

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