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MolNFT v1 · #43308 · protein

Solution structure of murine myristoylated msra

2L90 · Peptide methionine sulfoxide reductase: “Solution structure of murine myristoylated msra”. Solution nmr, 1 ligand (MYR), 1 pocket (best druggability 0.59). MolNFT v1 #43308 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2L90
Type
protein
Length
211 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptide methionine sulfoxide reductase
EC
1.8.4.11
UniProt
Q9D6Y7
Ligands
MYR
Pockets
1 · best druggability 0.59

Structure

solution nmr · 1 distinct chain · 25% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptide methionine sulfoxide reductase (EC 1.8.4.11)protein21125% helix, 16% strandQ9D6Y7

Ligands and binding sites

  • MYR · Myristic acid · ligand · chains A

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
11100.590.8624empty

Modifications

Observed in the structure: 1 lipid (myristoylation).

Compared structures

  • 2L90 · Solution structure of murine myristoylated msrA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9D6Y7 · AlphaFold monomer V2.0 prediction for mitochondrial peptide methionine sulfoxide… · a predicted model of the same protein · chain A against A, TM-score 0.91

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