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X-ray structure of drosha in complex with the C-terminal tail of DGCR8.

Analyse X-ray structure of drosha in complex with the C-terminal tail of DGCR8. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5B16
Type
protein
Length
770 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease 3,DROSHA,RIBONUCLEASE 3,DROSHA,RIBONUCLEASE 3; Microprocessor complex…
EC
3.1.26.3
UniProt
Q9NRR4, Q8WYQ5
Ligands
ZN
Pockets
13 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 45% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease 3,DROSHA,RIBONUCLEASE 3,DROSHA,RIBONUCLEASE 3 (EC 3.1.26.3)protein72242% helix, 13% strandQ9NRR4
BMicroprocessor complex subunit DGCR8protein2592% helix, 0% strandQ8WYQ5
CMicroprocessor complex subunit DGCR8protein2374% helix, 0% strandQ8WYQ5

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13120.640.8032empty
21390.580.8427empty
31890.580.8118empty
41310.580.8423empty
51600.550.8128empty

Interfaces

2 interfaces between chains.

  • A–B · 786 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 743 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5B16 · X-ray structure of DROSHA in complex with the C-terminal tail of DGCR8. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NRR4 · AlphaFold monomer V2.0 prediction for ribonuclease 3 (Q9NRR4) · a predicted model of the same protein · chain A against A, TM-score 0.89
  • Q8WYQ5 · AlphaFold monomer V2.0 prediction for microprocessor complex subunit DGCR8 (Q8WYQ5) · a predicted model of the same protein · chain B against A, TM-score 0.78

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