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Crystal structure of ribotoxin restrictocin complexed with a 29-mer SARCIN/RICIN domain RNA analog

Analyse Crystal structure of ribotoxin restrictocin complexed with a 29-mer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JBT
Type
protein + RNA
Length
356 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
29-mer SARCIN/RICIN domain RNA analog; Restrictocin
EC
3.1.27.-
UniProt
P67876
Ligands
K
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D29-mer SARCIN/RICIN domain RNA analogrna29——
A, BRestrictocin (EC 3.1.27.-)protein1497% helix, 30% strandP67876

Ligands and binding sites

  • K · Potassium ion · metal · 6 copies · chains C, A, D, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.660.8247K
23280.660.8148K
32590.480.7421K
42210.460.7420K

Interfaces

3 interfaces between chains.

  • D–B · 670 Ų buried · 7 hydrogen bonds · protein-nucleic
  • C–A · 633 Ų buried · 11 hydrogen bonds · protein-nucleic
  • C–D · 186 Ų buried · 3 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1JBT · Crystal structure of ribotoxin restrictocin complexed with a 29-mer SARCIN/RICIN domain… · the same entry in another collection · chain C against C, TM-score 1.00
  • P67876 · AlphaFold monomer V2.0 prediction for ribonuclease mitogillin (P67876) · a predicted model of the same protein · chain A against A, TM-score 0.96

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