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MolNFT v1 · #88669 · protein + RNA

Crystal structure of the bombyx mori vasa helicase (E339Q) in complex with RNA and amppnp

4D25 · Bmvlg protein: “Crystal structure of the bombyx mori vasa helicase (E339Q) in complex with RNA and amppnp”. X-ray diffraction, 2 ligands (ANP, MG), 5 pockets (best druggability 0.74). MolNFT v1 #88669 on GenesisL1: 3D structure…

PDB
4D25
Type
protein + RNA
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bmvlg protein; 5'-R(*UP*GP*AP*CP*AP*UP)-3'
UniProt
O01378
Ligands
ANP, MG
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABmvlg proteinprotein42741% helix, 17% strandO01378
D5'-R(*UP*GP*AP*CP*AP*UP)-3'rna6——

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · chains A, D

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12010.740.9038ANP, MG
24720.660.7849empty
32470.640.8225GOL
4850.440.8020empty
5940.390.7718empty

Interfaces

1 interface between chains.

  • A–D · 673 Ų buried · 25 hydrogen bonds · protein-nucleic

Compared structures

  • 4D25 · Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA and AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00

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