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Related entries of code: 4xcb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4xcb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHygX from Streptomyces hygroscopicus
Ligand NameHY0
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=3.4uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 11547-11552
Ligand Properties
Formula C20H40N3O13
Molecular Weight 530.544
Exact Mass 530.256
No. of atoms 76
No. of bonds 79
Polar Surface Area 279.88
LOGP Value -6.57      (Computed with XLOGP3)
-9.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 4
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): Q2MFS1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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