Browse entries in the PDBbind-CN Database

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Related entries of code: 6hh5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6hgzRCSB PDB    PDBbind350aa, >6HGZ_1|Chains... *
6hh3RCSB PDB    PDBbind350aa, >6HH3_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6g2aRCSB PDB    PDBbindA3R

Entry Information
PDB ID6hh5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameARH3
Ligand NameA3R
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=54.2uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Cell Chem Biol Vol. 25: pp. 1533-1546.e12
Ligand Properties
Formula C15H27N6O11P2
Molecular Weight 529.356
Exact Mass 529.121
No. of atoms 61
No. of bonds 64
Polar Surface Area 291.94
LOGP Value -5.12      (Computed with XLOGP3)
-1.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 17
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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