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Crystal structure of box C/D RNP with 12 nt guide regions and 9 nt substrates

Analyse Crystal structure of box C/D RNP with 12 nt guide regions and 9 nt substrates in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5GIN
Type
protein + RNA
Length
2,297 residues
Chains
15
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.308
Source
Sulfolobus solfataricus; SYNTHETIC CONSTRUCT
Molecule
C/D box methylation guide ribonucleoprotein complex aNOP56 subunit; 50S ribosomal protein…
EC
2.1.1.-
UniProt
A0A0E3MJI1, A0A0E3JZF7, A0A0E3JUC9
Ligands
SAH
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · resolution 3.308 · 7 distinct chains · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, KC/D box methylation guide ribonucleoprotein complex aNOP56 subunitprotein37565% helix, 6% strandA0A0E3MJI1
C, D, L50S ribosomal protein L7Aeprotein12246% helix, 16% strandA0A0E3JZF7
E, F, MFibrillarin-like rRNA/tRNA 2'-O-methyltransferase (EC 2.1.1.-)protein22726% helix, 30% strandA0A0E3JUC9
GC/D RNArna35——
HC/D RNArna32——
I, J, Osubstraterna9——
NC/D RNArna31——

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · 3 copies · chains E, G, I, F, H, J, N, O, M

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11560.810.9733SAH
21910.810.9535SAH
34020.800.8943empty
41580.800.9630SAH
54060.770.8754empty

Interfaces

40 interfaces between chains.

  • A–B · 1790 Ų buried · 13 hydrogen bonds · protein-protein
  • K–M · 1498 Ų buried · 18 hydrogen bonds · protein-protein
  • B–F · 1498 Ų buried · 15 hydrogen bonds · protein-protein
  • A–E · 1487 Ų buried · 13 hydrogen bonds · protein-protein
  • G–H · 1363 Ų buried · 113 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5GIN · Crystal structure of box C/D rnp with 12 nt guide regions and 9 nt substrates · the same entry in another collection · chain A against A, TM-score 1.00

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