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Related entries of code: 3k5x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3itcRCSB PDB    PDBbind400aa, >3ITC_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3k5x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namerenal dipeptidase
Ligand NameP8D
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Ki=390nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 611-622
Ligand Properties
Formula C7H16NO6P
Molecular Weight 241.179
Exact Mass 241.072
No. of atoms 31
No. of bonds 30
Polar Surface Area 156.29
LOGP Value -2.21      (Computed with XLOGP3)
-1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): Q93J45  
Entrez Gene IDNCBI Entrez Gene ID: 1098491  
ASDInformation of known allosteric effects of PDB entries

 
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