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Related entries of code: 1juy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ch8RCSB PDB    PDBbind431aa, >1CH8_1|Chain... *
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 ID1juy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameadenylosuccinate synthetase
Ligand NameH5P
EC.Number E.C.6.3.4.4
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=22nM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v35 pp. 15753-9, 1996
Ligand Properties
Formula C7H12N2O9P
Molecular Weight 299.152
Exact Mass 299.028
No. of atoms 31
No. of bonds 32
Polar Surface Area 191.4
LOGP Value -4.58      (Computed with XLOGP3)
-3.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
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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