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Related entries of code: 3vru
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1rjkRCSB PDB    PDBbind13aa, >1RJK_2|Chain... *
2o4jRCSB PDB    PDBbind13aa, >2O4J_2|Chain... at 100%
2o4rRCSB PDB    PDBbind13aa, >2O4R_2|Chain... at 100%
2zmjRCSB PDB    PDBbind13aa, >2ZMJ_2|Chain... at 100%
3vjsRCSB PDB    PDBbind13aa, >3VJS_2|Chain... at 100%
3vjtRCSB PDB    PDBbind13aa, >3VJT_2|Chain... at 100%
3vrtRCSB PDB    PDBbind13aa, >3VRT_2|Chain... at 100%
3vrvRCSB PDB    PDBbind13aa, >3VRV_2|Chain... at 100%
3vrwRCSB PDB    PDBbind13aa, >3VRW_2|Chain... at 100%
3vtbRCSB PDB    PDBbind13aa, >3VTB_2|Chain... at 100%
3vtcRCSB PDB    PDBbind13aa, >3VTC_2|Chain... at 100%
3vtdRCSB PDB    PDBbind13aa, >3VTD_2|Chain... at 100%
3w5tRCSB PDB    PDBbind13aa, >3W5T_2|Chain... at 100%
3wt5RCSB PDB    PDBbind13aa, >3WT5_2|Chain... at 100%
3wt7RCSB PDB    PDBbind13aa, >3WT7_2|Chain... at 100%
4ynkRCSB PDB    PDBbind13aa, >4YNK_2|Chain... at 100%
5awjRCSB PDB    PDBbind13aa, >5AWJ_2|Chain... at 100%
5b5bRCSB PDB    PDBbind13aa, >5B5B_2|Chains... at 100%
5xpmRCSB PDB    PDBbind13aa, >5XPM_2|Chain... at 100%
5xpnRCSB PDB    PDBbind13aa, >5XPN_2|Chain... at 100%
5xpoRCSB PDB    PDBbind13aa, >5XPO_2|Chain... at 100%
5xppRCSB PDB    PDBbind13aa, >5XPP_2|Chain... at 100%
5zweRCSB PDB    PDBbind13aa, >5ZWE_2|Chain... at 100%
5zwfRCSB PDB    PDBbind13aa, >5ZWF_2|Chain... at 100%
5zwhRCSB PDB    PDBbind13aa, >5ZWH_2|Chain... at 100%
5zwiRCSB PDB    PDBbind13aa, >5ZWI_2|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 ID3vru
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameVitamin D3 receptor ligand binding domain
Ligand NameYS3
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.10nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4373-4381
Ligand Properties
Formula C26H44O3
Molecular Weight 404.626
Exact Mass 404.329
No. of atoms 73
No. of bonds 75
Polar Surface Area 60.69
LOGP Value 4.71      (Computed with XLOGP3)
5.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 3
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): P13053  Q15648  
Entrez Gene IDNCBI Entrez Gene ID: 24873  5469  
ASDInformation of known allosteric effects of PDB entries

 
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