Browse entries in the PDBbind-CN Database

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Related entries of code: 1qaq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qanRCSB PDB    PDBbind244aa, >1QAN_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1aqjRCSB PDB    PDBbindSFG
2h2jRCSB PDB    PDBbindSFG
2xyrRCSB PDB    PDBbindSFG
3cbpRCSB PDB    PDBbindSFG
3lkzRCSB PDB    PDBbindSFG
6bdyRCSB PDB    PDBbindSFG
6ox0RCSB PDB    PDBbindSFG
Entry Information
PDB ID1qaq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameermc' methyltransferase
Ligand NameSFG
EC.Number E.C.2.1.1.48
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=18uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v289 pp. 277-91, 1999
Ligand Properties
Formula C15H25N7O5
Molecular Weight 383.403
Exact Mass 383.192
No. of atoms 52
No. of bonds 54
Polar Surface Area 211.89
LOGP Value -4.28      (Computed with XLOGP3)
-2.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
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): P13956  
Entrez Gene IDNCBI Entrez Gene ID: 59698431  
ASDInformation of known allosteric effects of PDB entries
 
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