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MolNFT v1 · #56654 · protein + RNA

Crystal structure of tRNA modification enzyme miaa in the complex with TRNA(PHE)

2ZM5 · TRNA DELTA(2)-isopentenylpyrophosphate transferase: “Crystal structure of tRNA modification enzyme miaa in the complex with TRNA(PHE)”. X-ray diffraction, 1 ligand (MG), 16 pockets (best druggability 0.65). MolNFT v1 #56654 on…

PDB
2ZM5
Type
protein + RNA
Length
754 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA DELTA(2)-isopentenylpyrophosphate transferase; TRNA(PHE)
EC
2.5.1.8
UniProt
P16384
Ligands
MG
Pockets
16 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA DELTA(2)-isopentenylpyrophosphate transferase (EC 2.5.1.8)protein30653% helix, 11% strandP16384
BTRNA DELTA(2)-isopentenylpyrophosphate transferase (EC 2.5.1.8)protein30548% helix, 11% strandP16384
CTRNA(PHE)rna74——
DTRNA(PHE)rna69——

Ligands and binding sites

  • MG · Magnesium ion · metal · 7 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11950.650.8538empty
25620.650.7731MG
35240.630.7732MG
43770.630.7950empty
54640.620.7730MG

Interfaces

5 interfaces between chains.

  • A–C · 2007 Ų buried · 54 hydrogen bonds · protein-nucleic
  • B–D · 1993 Ų buried · 51 hydrogen bonds · protein-nucleic
  • A–B · 426 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 266 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–D · 50 Ų buried · 1 hydrogen bond · protein-nucleic

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

  • 2ZM5 · Crystal structure of tRNA modification enzyme MiaA in the complex with tRNA(Phe) · the same entry in another collection · chain A against A, TM-score 1.00
  • P16384 · AlphaFold monomer V2.0 prediction for tRNA dimethylallyltransferase (P16384) · a predicted model of the same protein · chain B against A, TM-score 0.99

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