Browse entries in the PDBbind-CN Database

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Related entries of code: 6agg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5j4nRCSB PDB    PDBbindAG2

Entry Information
PDB ID6agg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NametRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
Ligand NameAG2
EC.Number E.C.-.-.-.-
Resolution 2.71(Å)
Affinity (Kd/Ki/IC50)Kd=85uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Mol. Biol. Vol. 430: pp. 4183-4194
Ligand Properties
Formula C5H16N4
Molecular Weight 132.207
Exact Mass 132.137
No. of atoms 25
No. of bonds 24
Polar Surface Area 93.65
LOGP Value 0.56      (Computed with XLOGP3)
-2.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
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): O28025  
Entrez Gene IDNCBI Entrez Gene ID: 24796023  
ASDInformation of known allosteric effects of PDB entries

 
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