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How the cca-adding enzyme selects adenine over cytosine at position 76 of tRNA

Analyse How the cca-adding enzyme selects adenine over cytosine at position 76 of tRNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OUY
Type
protein + RNA
Length
948 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cca-adding enzyme; RNA (35-mer)
EC
2.7.7.25, 2.7.7.21
UniProt
O28126
Ligands
POP, SO4
Pockets
9 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACca-adding enzyme (EC 2.7.7.25, 2.7.7.21)protein44142% helix, 22% strandO28126
BCca-adding enzyme (EC 2.7.7.25, 2.7.7.21)protein43742% helix, 20% strandO28126
C, DRNA (35-mer)rna35——

Ligands and binding sites

  • POP · Pyrophosphate 2- · ligand · 2 copies · chains B, D, A, C
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B, D
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110550.750.7880empty
210220.730.7772empty
33770.620.7841POP
43730.620.7836SO4, POP
55000.610.7529empty

Interfaces

3 interfaces between chains.

  • A–B · 2581 Ų buried · 42 hydrogen bonds · protein-protein
  • A–C · 1625 Ų buried · 43 hydrogen bonds · protein-nucleic
  • B–D · 1610 Ų buried · 46 hydrogen bonds · protein-nucleic

Compared structures

  • 3OUY · How the CCA-adding Enzyme Selects Adenine Over Cytosine at Position 76 of tRNA · the same entry in another collection · chain A against A, TM-score 1.00
  • O28126 · AlphaFold monomer V2.0 prediction for cca-adding enzyme (O28126) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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