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MolNFT v1 · #117415 · protein

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

5E7I · ATP-dependent RNA helicase DDX3X: “Crystal structure of the active catalytic core of the human dead-box protein DDX3”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #117415 on GenesisL1: 3D structure, binding…

PDB
5E7I
Type
protein
Length
1,272 residues
Chains
3
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
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BATP-dependent RNA helicase DDX3X (EC 3.6.4.13)protein41840% helix, 16% strandO00571
AATP-dependent RNA helicase DDX3X (EC 3.6.4.13)protein43042% helix, 16% strandO00571
CATP-dependent RNA helicase DDX3X (EC 3.6.4.13)protein42440% helix, 16% strandO00571

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110930.820.84131empty
29450.800.8296empty
33450.690.8350empty
42380.680.8549empty
52200.520.7728empty

Interfaces

3 interfaces between chains.

  • B–C · 738 Ų buried · 2 hydrogen bonds · protein-protein
  • B–A · 453 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 322 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5E7I · Crystal structure of the active catalytic core of the human DEAD-box protein DDX3 · the same entry in another collection · chain B against B, 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 C against A, TM-score 0.78

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