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Related entries of code: 2uy3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2uy4RCSB PDB    PDBbind294aa, >2UY4_1|Chain... at 100%
2uy5RCSB PDB    PDBbind294aa, >2UY5_1|Chain... at 100%
4txeRCSB PDB    PDBbind294aa, >4TXE_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 ID2uy3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSaccharomyces cerevisiae Chitinase 1
Ligand NameH33
EC.Number E.C.3.2.1.14
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=600uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Chem.Biol. Vol. 14: pp. 589-599
Ligand Properties
Formula C7H7ClN4O2
Molecular Weight 214.609
Exact Mass 214.026
No. of atoms 21
No. of bonds 22
Polar Surface Area 72.68
LOGP Value 0.58      (Computed with XLOGP3)
-0.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
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): P29029  
Entrez Gene IDNCBI Entrez Gene ID: 850992  
ASDInformation of known allosteric effects of PDB entries

 
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