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MolNFT v1 · #53980 · protein + RNA

Crystal structure of the core mago-Y14-EIF4AIII-barentsz- UPF3B assembly shows how the ejc is bridged to the nmd machinery

2XB2 · Eukaryotic initiation factor 4A-III: “Crystal structure of the core mago-Y14-EIF4AIII-barentsz- UPF3B assembly shows how the ejc is bridged to the…”. X-ray diffraction, 2 ligands (ANP, MG), 20 pockets (best druggability 0.81).…

PDB
2XB2
Type
protein + RNA
Length
1,409 residues
Chains
13
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eukaryotic initiation factor 4A-III; Protein mago nashi homolog; RNA-binding protein 8A…
EC
3.6.1.-
UniProt
P38919, P61326, Q9Y5S9, Q9BZI7, O15234
Ligands
ANP, MG
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 10 distinct chains · 32% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, XEukaryotic initiation factor 4A-III (EC 3.6.1.-)protein39041% helix, 16% strandP38919
C, YProtein mago nashi homologprotein14336% helix, 34% strandP61326
D, ZRNA-binding protein 8Aprotein8922% helix, 35% strandQ9Y5S9
ERNA poly-U-ribonucleotiderna8——
FPutative regulator of nonsense transcripts 3Bprotein30% helix, 0% strand—
GRegulator of nonsense transcripts 3Bprotein150% helix, 7% strandQ9BZI7
RRNA poly-U-ribonucleotiderna7——
SProtein CASC3protein5712% helix, 0% strandO15234
TProtein CASC3protein5917% helix, 0% strandO15234
URegulator of nonsense transcripts 3Bprotein160% helix, 6% strandQ9BZI7

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, X
  • MG · Magnesium ion · metal · 2 copies · chains A, X

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18210.810.8479empty
27750.780.8264empty
33430.740.8645empty
43610.730.8441empty
52300.690.8640empty

Interfaces

23 interfaces between chains.

  • S–X · 2247 Ų buried · 39 hydrogen bonds · protein-protein
  • A–T · 2244 Ų buried · 35 hydrogen bonds · protein-protein
  • X–Y · 1695 Ų buried · 38 hydrogen bonds · protein-protein
  • A–C · 1687 Ų buried · 38 hydrogen bonds · protein-protein
  • Y–Z · 1264 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2XB2 · Crystal structure of the core Mago-Y14-eIF4AIII-Barentsz-UPF3b assembly shows how the EJC… · the same entry in another collection · chain Z against Z, TM-score 1.00

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