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Crystal structure of RNase III complexed with double-stranded RNA and cmp (type II cleavage)

Analyse Crystal structure of RNase III complexed with double-stranded RNA and cmp (type… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4M2Z
Type
protein + RNA
Length
492 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease 3; RNA10
EC
3.1.26.3
UniProt
O67082
Ligands
C, MG
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 59% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease 3 (EC 3.1.26.3)protein22060% helix, 10% strandO67082
BRibonuclease 3 (EC 3.1.26.3)protein21858% helix, 11% strandO67082
C, DRNA10rna27——

Ligands and binding sites

  • C · Cytidine-5'-monophosphate · ligand · 2 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 6 copies · chains A, D, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110200.790.8271MG, C
210180.790.8174MG, C
3630.650.9416empty
4530.280.7514empty

Interfaces

6 interfaces between chains.

  • A–B · 1313 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 867 Ų buried · 26 hydrogen bonds · protein-nucleic
  • B–C · 843 Ų buried · 23 hydrogen bonds · protein-nucleic
  • A–C · 700 Ų buried · 17 hydrogen bonds · protein-nucleic
  • B–D · 674 Ų buried · 10 hydrogen bonds · protein-nucleic

Compared structures

  • 4M2Z · Crystal structure of RNASE III complexed with double-stranded RNA and CMP (TYPE II… · the same entry in another collection · chain C against C, TM-score 1.00
  • O67082 · AlphaFold monomer V2.0 prediction for ribonuclease 3 (O67082) · a predicted model of the same protein · chain B against A, TM-score 0.95

Analyse

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