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In vitro evolved glms ribozyme triple mutant, calcium ion complex

Analyse In vitro evolved glms ribozyme triple mutant, calcium ion complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MEH
Type
RNA
Length
140 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glms triple mutant ribozyme; (122-mer) ribozyme
Ligands
CA
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlms triple mutant ribozymerna20——
B(122-mer) ribozymerna120——

Ligands and binding sites

  • CA · Calcium ion · metal · 9 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16220.730.8144CA
21960.500.7817empty
32500.500.7623empty
41660.490.7917empty
51230.490.8115CA

Interfaces

1 interface between chains.

  • A–B · 1361 Ų buried · 92 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4MEH · In vitro evolved glmS ribozyme triple mutant, calcium ion complex · the same entry in another collection · chain A against A, TM-score 1.00

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