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The structural basis for RNA specificity and CA2 inhibition of an RNA- dependent RNA polymerase PHI6P2 with 5NT RNA conformation a

Analyse The structural basis for RNA specificity and CA2 inhibition of an RNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1UVM
Type
protein + RNA
Length
2,007 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-directed RNA polymerase; 5'-R(*UP*UP*UP*CP*CP)-3'
EC
2.7.7.48
UniProt
P11124
Ligands
MN
Pockets
14 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CRNA-directed RNA polymerase (EC 2.7.7.48)protein66446% helix, 15% strandP11124
D, E, F5'-R(*UP*UP*UP*CP*CP)-3'rna5——

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 3 copies · chains A, B, C

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

Pockets

14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19320.880.90120empty
210460.850.86105empty
35400.840.9071empty
44170.760.8650empty
58370.760.8071empty

Interfaces

5 interfaces between chains.

  • A–B · 882 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 804 Ų buried · 13 hydrogen bonds · protein-nucleic
  • C–F · 799 Ų buried · 15 hydrogen bonds · protein-nucleic
  • B–E · 796 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–C · 498 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1UVM · The structural basis for RNA specificity and Ca2 inhibition of an RNA-dependent RNA… · the same entry in another collection · chain C against C, TM-score 1.00

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