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IFIT1 monomeric mutant (L457E/L464E) with PPP-AAAA

Analyse IFIT1 monomeric mutant (L457E/L464E) with PPP-AAAA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UDK
Type
protein + RNA
Length
465 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.65
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
Interferon-induced protein with tetratricopeptide repeats 1; RNA…
UniProt
P09914
Ligands
CA
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · resolution 1.65 · 2 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInterferon-induced protein with tetratricopeptide repeats 1protein46175% helix, 0% strandP09914
BRNA (5'-D(*(ATP))-R(P*AP*AP*A)-3')rna4——

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13020.740.8738PGE, PEG, EDO
21060.740.9528empty
3990.400.7616empty
4850.340.7420empty
5700.320.7516empty

Interfaces

1 interface between chains.

  • A–B · 990 Ų buried · 25 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 5UDK · IFIT1 monomeric mutant (L457E/L464E) with ppp-aaaa · the same entry in another collection · chain A against A, TM-score 1.00
  • P09914 · AlphaFold monomer V2.0 prediction for interferon-induced protein with tetratricopeptide… · a predicted model of the same protein · chain A against A, TM-score 0.99

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