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MolNFT v1 · #103024 · RNA

Crystal structure of the bacterial A1408C-mutant ribosomal decoding site in complex with geneticin

4P3S · 5'-R(*UP*UP*GP*CP*GP*UP*CP*CP*CP*GP*(5BU)…: “Crystal structure of the bacterial A1408C-mutant ribosomal decoding site in complex with geneticin”. X-ray diffraction, 1 ligand (GET), 1 pocket (best druggability 0.52). MolNFT v1…

PDB
4P3S
Type
RNA
Length
43 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*UP*UP*GP*CP*GP*UP*CP*CP*CP*GP*(5BU) P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Ligands
GET
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-R(*UP*UP*GP*CP*GP*UP*CP*CP*CP*GP*(5BU) P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'rna21——
B5'-R(*UP*UP*GP*CP*GP*UP*CP*CP*CP*GP*(5BU) P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'rna22——

Ligands and binding sites

  • GET · Geneticin · ligand · 3 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13970.520.7330GET

Interfaces

1 interface between chains.

  • A–B · 971 Ų buried · 90 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 4P3S · Crystal structure of the bacterial A1408C-mutant ribosomal decoding site in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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