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RNase pH core of the archaeal exosome in complex with A5 RNA

Analyse RNase pH core of the archaeal exosome in complex with A5 RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2C38
Type
protein
Length
6,172 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable exosome complex exonuclease 2; Probable exosome complex exonuclease 1
EC
3.1.13.-
UniProt
Q9UXC0, Q9UXC2
Ligands
AMP, CL
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 28% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, K, M, O, Q, S, WProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein27128% helix, 36% strandQ9UXC0
B, F, H, J, N, XProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24129% helix, 34% strandQ9UXC2
D, L, R, TProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24728% helix, 32% strandQ9UXC2
PProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24828% helix, 32% strandQ9UXC2
UProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein27028% helix, 36% strandQ9UXC0
VProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein23929% helix, 34% strandQ9UXC2

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 28 copies · chains A, B, E, F, G, H, I, J, M, N, U, V, W, X
  • CL · Chloride ion · ion · 12 copies · chains B, D, F, H, J, L, N, P, R, T, V, X

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111750.790.81114empty
211040.790.81105empty
38850.790.8185empty
48630.790.8174empty
58250.780.8185empty

Interfaces

60 interfaces between chains.

  • U–V · 1884 Ų buried · 35 hydrogen bonds · protein-protein
  • W–X · 1882 Ų buried · 36 hydrogen bonds · protein-protein
  • K–L · 1859 Ų buried · 37 hydrogen bonds · protein-protein
  • I–J · 1859 Ų buried · 38 hydrogen bonds · protein-protein
  • C–D · 1854 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 2C38 · RNase PH core of the archaeal exosome in complex with A5 RNA · the same entry in another collection · chain J against J, TM-score 1.00

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