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Crystal structure of the methyltransferase subunit of human mitochondrial ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)

Analyse Crystal structure of the methyltransferase subunit of human mitochondrial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NFJ
Type
protein
Length
533 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitochondrial ribonuclease P protein 1
EC
2.1.1.-
UniProt
Q7L0Y3
Ligands
SAM
Pockets
6 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CMitochondrial ribonuclease P protein 1 (EC 2.1.1.-)protein17842% helix, 14% strandQ7L0Y3
BMitochondrial ribonuclease P protein 1 (EC 2.1.1.-)protein17744% helix, 15% strandQ7L0Y3

Ligands and binding sites

  • SAM · S-adenosylmethionine · ligand · 3 copies · chains A, B, C
  • GOL · Glycerol · additive · 7 copies · chains A, C, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19300.790.8199GOL, SAM
22150.740.8934SAM
32090.740.8935SAM
42620.570.7828EDO
51810.540.7927empty

Interfaces

3 interfaces between chains.

  • B–C · 678 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 512 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 338 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 5NFJ · Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P… · the same entry in another collection · chain C against C, TM-score 1.00
  • Q7L0Y3 · AlphaFold monomer V2.0 prediction for tRNA methyltransferase 10 homolog C (Q7L0Y3) · a predicted model of the same protein · chain B against A, TM-score 0.97

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