Browse entries in the PDBbind-CN Database

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Related entries of code: 1jqe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jqdRCSB PDB    PDBbind292aa, >1JQD_1|Chains... *
2aouRCSB PDB    PDBbind292aa, >2AOU_2|Chain... at 100%
2aovRCSB PDB    PDBbind292aa, >2AOV_1|Chains... at 100%
2aowRCSB PDB    PDBbind292aa, >2AOW_1|Chains... at 99%
2aoxRCSB PDB    PDBbind292aa, >2AOX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1jqe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehistamine n-methyltransferase
Ligand NameQUN
EC.Number E.C.2.1.1.8
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)Ki=0.36uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Structure v9 pp. 837-49, 2001
Ligand Properties
Formula C23H31ClN3O
Molecular Weight 400.965
Exact Mass 400.216
No. of atoms 59
No. of bonds 61
Polar Surface Area 38.59
LOGP Value 6.03      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
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): P50135  
Entrez Gene IDNCBI Entrez Gene ID: 3176  
ASDInformation of known allosteric effects of PDB entries

 
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