Browse entries in the PDBbind-CN Database

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Related entries of code: 5yh8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5yheRCSB PDB    PDBbind508aa, >5YHE_1|Chains... at 100%
5yhgRCSB PDB    PDBbind508aa, >5YHG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5yheRCSB PDB    PDBbind8UX
5yhgRCSB PDB    PDBbind8UX

Entry Information
PDB ID5yh8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCntA
Ligand Name8UX
EC.Number E.C.-.-.-.-
Resolution 2.12(Å)
Affinity (Kd/Ki/IC50)Kd=167.8nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc. Natl. Acad. Sci. U.S.A. Vol. 115: pp. 3942-3947
Ligand Properties
Formula C13H22N4O6
Molecular Weight 330.337
Exact Mass 330.154
No. of atoms 45
No. of bonds 45
Polar Surface Area 173.8
LOGP Value -2.80      (Computed with XLOGP3)
-3.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 1
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): Q2FVE7  
Entrez Gene IDNCBI Entrez Gene ID: 3921422  
ASDInformation of known allosteric effects of PDB entries

 
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