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Related entries of code: 3az9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3az8RCSB PDB    PDBbind154aa, >3AZ8_1|Chains... *
3azaRCSB PDB    PDBbind154aa, >3AZA_1|Chains... at 100%
3azbRCSB PDB    PDBbind154aa, >3AZB_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 ID3az9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-hydroxyacyl-ACP dehydratase
Ligand NameK91
EC.Number E.C.4.2.1
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Kd~1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 176: pp. 238-249
Ligand Properties
Formula C15H9Cl2NO2
Molecular Weight 306.143
Exact Mass 305.001
No. of atoms 29
No. of bonds 31
Polar Surface Area 42.35
LOGP Value 4.62      (Computed with XLOGP3)
5.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): Q965D7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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