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Related entries of code: 3rsr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zlfRCSB PDB    PDBbind888aa, >2ZLF_1|Chain... *
2zlgRCSB PDB    PDBbind888aa, >2ZLG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3rsr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRibonucleoside-diphosphate reductase large chain 1
Ligand NameN5P
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=44uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Mol.Cancer Ther. Vol. 11: pp. 2077-2086
Ligand Properties
Formula C13H20N2O14P3
Molecular Weight 521.224
Exact Mass 521.013
No. of atoms 52
No. of bonds 54
Polar Surface Area 290.28
LOGP Value -2.97      (Computed with XLOGP3)
0.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P21524  
Entrez Gene IDNCBI Entrez Gene ID: 856801  
ASDInformation of known allosteric effects of PDB entries

 
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