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Ribonucleotide reductase R2 soaked with ferrous ion at neutral pH

Analyse Ribonucleotide reductase R2 soaked with ferrous ion at neutral pH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PIY
Type
protein
Length
680 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonucleoside-diphosphate reductase 1 beta chain
EC
1.17.4.1
UniProt
P69924
Ligands
HG, FE
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibonucleoside-diphosphate reductase 1 beta chain (EC 1.17.4.1)protein34070% helix, 4% strandP69924

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 14 copies · chains A, B
  • FE · Fe (III) ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.750.9529empty
21130.480.8021HG
3510.310.7614empty
4500.240.7215empty

Interfaces

1 interface between chains.

  • A–B · 3075 Ų buried · 50 hydrogen bonds · protein-protein

Compared structures

  • 1PIY · Ribonucleotide reductase R2 soaked with ferrous ion at neutral pH · the same entry in another collection · chain A against A, TM-score 1.00
  • P69924 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase 1 subunit beta… · a predicted model of the same protein · chain A against A, TM-score 0.99

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