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Related entries of code: 3hyg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3b8zRCSB PDB    PDBbind217aa, >3B8Z_1|Chains... at 100%
3hy7RCSB PDB    PDBbind221aa, >3HY7_1|Chains... *
3hy9RCSB PDB    PDBbind221aa, >3HY9_1|Chains... at 100%
3ljtRCSB PDB    PDBbind218aa, >3LJT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3hyg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCatalytic Domain of ADAMTS-5
Ligand Name099
EC.Number E.C.3.4.24.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)IC50=93nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biol.Chem. Vol. 284: pp. 24185-24191
Ligand Properties
Formula C20H22N2O5
Molecular Weight 370.399
Exact Mass 370.153
No. of atoms 49
No. of bonds 51
Polar Surface Area 118.89
LOGP Value 0.81      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): Q9UNA0  
Entrez Gene IDNCBI Entrez Gene ID: 11096  
ASDInformation of known allosteric effects of PDB entries
 
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