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Related entries of code: 3aza
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3az8RCSB PDB    PDBbind154aa, >3AZ8_1|Chains... *
3az9RCSB PDB    PDBbind154aa, >3AZ9_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 ID3aza
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-hydroxyacyl-ACP dehydratase
Ligand NameKM0
EC.Number E.C.4.2.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=7.4uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 176: pp. 238-249
Ligand Properties
Formula C16H12ClNO
Molecular Weight 269.726
Exact Mass 269.061
No. of atoms 31
No. of bonds 33
Polar Surface Area 22.12
LOGP Value 4.28      (Computed with XLOGP3)
4.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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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