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MolNFT v1 · #31210 · protein

Crystal structure of the F127Y mutant of ribonucleotide reductase R2 from chlamydia trachomatis

2ANI · Ribonucleoside-diphosphate reductase beta subunit: “Crystal structure of the F127Y mutant of ribonucleotide reductase R2 from chlamydia trachomatis”. X-ray diffraction, 2 ligands (FE, PB), 1 pocket (best druggability 0.33). MolNFT…

PDB
2ANI
Type
protein
Length
317 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonucleoside-diphosphate reductase beta subunit
EC
1.17.4.1
UniProt
O84835
Ligands
FE, PB
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonucleoside-diphosphate reductase beta subunit (EC 1.17.4.1)protein31772% helix, 0% strandO84835

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A
  • PB · Lead (II) ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.330.7810empty

Compared structures

  • 2ANI · Crystal structure of the F127Y mutant of Ribonucleotide Reductase R2 from Chlamydia… · the same entry in another collection · chain A against A, TM-score 1.00
  • O84835 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase subunit beta… · a predicted model of the same protein · chain A against A, TM-score 0.99

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