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MolNFT v1 · #18122 · protein

Ribonucleotide reductase protein R1E from salmonella typhimurium

1PEU · Ribonucleoside-diphosphate reductase 2 alpha chain: “Ribonucleotide reductase protein R1E from salmonella typhimurium”. X-ray diffraction, 2 ligands (DTP, MG), 10 pockets (best druggability 0.70). MolNFT v1 #18122 on GenesisL1: 3D…

PDB
1PEU
Type
protein
Length
692 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonucleoside-diphosphate reductase 2 alpha chain
EC
1.17.4.1
UniProt
Q08698
Ligands
DTP, MG
Pockets
10 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonucleoside-diphosphate reductase 2 alpha chain (EC 1.17.4.1)protein69246% helix, 12% strandQ08698

Ligands and binding sites

  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17530.700.7794empty
2650.440.8219empty
3870.420.7922empty
41160.410.7620empty
5820.380.7713empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1PEU · Ribonucleotide Reductase Protein R1E from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
  • Q08698 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase 2 subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98

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