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MolNFT v1 · #74388 · protein + RNA

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

3OV7: “How the cca-adding enzyme selects adenine over cytosine in position 76 of tRNA”. X-ray diffraction, 3 ligands (ATP, MN, SO4), 10 pockets (best druggability 0.76). MolNFT v1 #74388 on GenesisL1: 3D structure, binding sites and…

PDB
3OV7
Type
protein + RNA
Length
946 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cca-adding enzyme; RNA (34-mer)
EC
2.7.7.25, 2.7.7.21
UniProt
O28126
Ligands
ATP, MN, SO4
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 43% 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)protein43743% helix, 20% strandO28126
C, DRNA (34-mer)rna34——

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, C, B, D
  • MN · Manganese (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A, C, B
  • EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15760.760.8358ATP, MN
210390.750.7774empty
39390.740.7863EDO
45250.740.8248ATP
54430.590.7528empty

Interfaces

3 interfaces between chains.

  • A–B · 2535 Ų buried · 42 hydrogen bonds · protein-protein
  • A–C · 1468 Ų buried · 41 hydrogen bonds · protein-nucleic
  • B–D · 1428 Ų buried · 39 hydrogen bonds · protein-nucleic

Compared structures

  • 3OV7 · How the CCA-Adding Enzyme Selects Adenine over Cytosine in 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

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