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Crystal structure of postcleavge complex of escherichia COLI RNase III

Analyse Crystal structure of postcleavge complex of escherichia COLI RNase III in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7R97
Type
protein + RNA
Length
508 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease 3; RNA (28-mer)
EC
3.1.26.3
UniProt
P0A7Y0
Ligands
MG, K, CL
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibonuclease 3 (EC 3.1.26.3)protein22661% helix, 12% strandP0A7Y0
C, DRNA (28-mer)rna28——

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A, C, D, B
  • K · Potassium ion · metal · 2 copies · chains C, D
  • CL · Chloride ion · ion · 7 copies · chains A, C, B, D
  • EDO · 1,2-ethanediol · additive · 14 copies · chains A, D, B, C
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12560.800.9348empty
23060.640.8231MG, EDO
32020.590.8224empty
4610.300.7514empty
5560.290.7514empty

Interfaces

6 interfaces between chains.

  • A–B · 1178 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 916 Ų buried · 28 hydrogen bonds · protein-nucleic
  • B–D · 912 Ų buried · 28 hydrogen bonds · protein-nucleic
  • A–D · 744 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–C · 733 Ų buried · 21 hydrogen bonds · protein-nucleic

Compared structures

  • 7R97 · Crystal structure of postcleavge complex of Escherichia coli RNase III · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A7Y0 · AlphaFold monomer V2.0 prediction for ribonuclease 3 (P0A7Y0) · a predicted model of the same protein · chain A against A, TM-score 0.88

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