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Crystal structure of marburg virus nucleoprotein core domain bound to VP35 regulation peptide

Analyse Crystal structure of marburg virus nucleoprotein core domain bound to VP35… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5F5O
Type
protein
Length
1,028 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoprotein; Peptide from polymerase cofactor VP35
UniProt
Q6UY69, Q6UY68
Ligands
SO4
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 6 distinct chains · 61% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleoproteinprotein31562% helix, 5% strandQ6UY69
BPeptide from polymerase cofactor VP35protein2650% helix, 0% strandQ6UY68
CNucleoproteinprotein31862% helix, 6% strandQ6UY69
DPeptide from polymerase cofactor VP35protein2767% helix, 0% strandQ6UY68
ENucleoproteinprotein31562% helix, 6% strandQ6UY69
FPeptide from polymerase cofactor VP35protein2756% helix, 0% strandQ6UY68

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18400.740.7977empty
27690.730.7982empty
3680.440.8215empty
4860.360.7623empty
5650.270.7316SO4

Interfaces

7 interfaces between chains.

  • E–F · 1142 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 1048 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 1024 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 835 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 380 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5F5O · Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation… · the same entry in another collection · chain A against A, TM-score 1.00

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