Browse entries in the PDBbind-CN Database

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Related entries of code: 6hh3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6hgzRCSB PDB    PDBbind350aa, >6HGZ_1|Chains... *
6hh5RCSB PDB    PDBbind350aa, >6HH5_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4b1jRCSB PDB    PDBbindA1R
4na4RCSB PDB    PDBbindA1R

Entry Information
PDB ID6hh3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameARH3
Ligand NameA1R
EC.Number E.C.-.-.-.-
Resolution 1.82(Å)
Affinity (Kd/Ki/IC50)Ki=0.58uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Cell Chem Biol Vol. 25: pp. 1533-1546.e12
Ligand Properties
Formula C15H27N6O12P2
Molecular Weight 545.355
Exact Mass 545.116
No. of atoms 62
No. of bonds 65
Polar Surface Area 312.17
LOGP Value -6.10      (Computed with XLOGP3)
-2.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 18
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): H3BCW1  
Entrez Gene IDNCBI Entrez Gene ID: 102353686  
ASDInformation of known allosteric effects of PDB entries

 
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