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Related entries of code: 1ch8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1juyRCSB PDB    PDBbind431aa, >1JUY_1|Chain... at 100%
1qf4RCSB PDB    PDBbind431aa, >1QF4_1|Chain... at 100%
1qf5RCSB PDB    PDBbind431aa, >1QF5_1|Chain... 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 ID1ch8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameadenylosuccinate synthetase
Ligand NameGPX
EC.Number E.C.6.3.4.4
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.1uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v274 pp. 17505-10, 1999
Ligand Properties
Formula C10H17N5O13P3
Molecular Weight 508.189
Exact Mass 508.004
No. of atoms 48
No. of bonds 51
Polar Surface Area 318.12
LOGP Value -5.90      (Computed with XLOGP3)
-2.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 18
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): P0A7D4  
Entrez Gene IDNCBI Entrez Gene ID: 61753831  948695  
ASDInformation of known allosteric effects of PDB entries

 
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