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Related entries of code: 5yas
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yasRCSB PDB    PDBbind257aa, >4YAS_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5yas
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehydroxynitrile lyase
Ligand NameFAC
EC.Number E.C.4.2.1.39
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.55mM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v8 pp. 1990-2000, 1999
Ligand Properties
Formula C3H2F6O2
Molecular Weight 184.037
Exact Mass 183.996
No. of atoms 13
No. of bonds 12
Polar Surface Area 40.46
LOGP Value 1.07      (Computed with XLOGP3)
0.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): P52704  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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