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Related entries of code: 2fq6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gqnRCSB PDB    PDBbind415aa, >2GQN_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 ID2fq6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCystathionine beta-lyase
Ligand NameP3F
EC.Number E.C.4.4.1.8
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)IC50=0.079uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J. Med. Chem. 2007, 50, 755-764.
Ligand Properties
Formula C18H19F3N4O7P
Molecular Weight 491.335
Exact Mass 491.094
No. of atoms 52
No. of bonds 53
Polar Surface Area 187.19
LOGP Value -0.11      (Computed with XLOGP3)
1.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
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): P06721  
Entrez Gene IDNCBI Entrez Gene ID: 946240  
ASDInformation of known allosteric effects of PDB entries

 
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