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Crystal structure of the active catalytic core of the human dead-box protein DDX3 bound to amppnp

Analyse Crystal structure of the active catalytic core of the human dead-box protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5E7M
Type
protein
Length
424 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent RNA helicase DDX3X
EC
3.6.4.13
UniProt
O00571
Ligands
ANP
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-dependent RNA helicase DDX3X (EC 3.6.4.13)protein42441% helix, 16% strandO00571

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 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
13200.700.8442ANP
22270.530.7734empty
31620.460.7617empty
4950.380.7617empty
5990.340.7320empty

Compared structures

  • 5E7M · Crystal structure of the active catalytic core of the human DEAD-box protein DDX3 bound… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00571 · AlphaFold monomer V2.0 prediction for ATP-dependent RNA helicase DDX3X (O00571) · a predicted model of the same protein · chain A against A, TM-score 0.78

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