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Related entries of code: 1i41
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i43RCSB PDB    PDBbind445aa, >1I43_1|Chains... at 100%
1i48RCSB PDB    PDBbind445aa, >1I48_1|Chains... 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 ID1i41
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecystathionine gamma-synthase
Ligand NameHEN
EC.Number E.C.4.2.99.9
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Ki=27uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v311 pp. 789-801, 2001
Ligand Properties
Formula C13H20N2O10P2
Molecular Weight 426.253
Exact Mass 426.059
No. of atoms 47
No. of bonds 47
Polar Surface Area 240.57
LOGP Value -2.57      (Computed with XLOGP3)
-0.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
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): Q9ZPL5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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