Browse entries in the PDBbind-CN Database

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Related entries of code: 2aow
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jqdRCSB PDB    PDBbind292aa, >1JQD_1|Chains... *
1jqeRCSB PDB    PDBbind292aa, >1JQE_1|Chains... at 99%
2aouRCSB PDB    PDBbind292aa, >2AOU_2|Chain... at 100%
2aovRCSB PDB    PDBbind292aa, >2AOV_1|Chains... at 100%
2aoxRCSB PDB    PDBbind292aa, >2AOX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1acjRCSB PDB    PDBbindTHA
1mx1RCSB PDB    PDBbindTHA
2aoxRCSB PDB    PDBbindTHA
4bdsRCSB PDB    PDBbindTHA

Entry Information
PDB ID2aow
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehistamine n-methyltransferase
Ligand NameTHA
EC.Number E.C.2.1.1.8
Resolution 2.97(Å)
Affinity (Kd/Ki/IC50)Ki=38.2nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v353 pp. 334-44, 2005
Ligand Properties
Formula C13H14N2
Molecular Weight 198.264
Exact Mass 198.116
No. of atoms 29
No. of bonds 31
Polar Surface Area 38.91
LOGP Value 2.74      (Computed with XLOGP3)
3.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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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