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Zikv NS3HELICASE in complex with ssrna and ATP-MN2+

Analyse Zikv NS3HELICASE in complex with ssrna and ATP-MN2+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7V2Z
Type
protein + RNA
Length
445 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Core protein; RNA (5'-R(*AP*GP*AP*UP*C)-3')
EC
3.4.21.91, 3.6.1.15, 3.6.4.13
UniProt
A0A1B0YUR2
Ligands
ATP, MN
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACore protein (EC 3.4.21.91, 3.6.1.15, 3.6.4.13)protein44033% helix, 19% strandA0A1B0YUR2
BRNA (5'-R(*AP*GP*AP*UP*C)-3')rna5——

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12520.800.9241empty
24700.720.8268empty
31070.540.8423MN, ATP
41010.390.7622empty

Interfaces

1 interface between chains.

  • A–B · 866 Ų buried · 20 hydrogen bonds · protein-nucleic

Compared structures

  • 7V2Z · ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00

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