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Related entries of code: 4b0j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4b0bRCSB PDB    PDBbind171aa, >4B0B_1|Chains... *
4b0cRCSB PDB    PDBbind171aa, >4B0C_1|Chains... at 100%
4cl6RCSB PDB    PDBbind171aa, >4CL6_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 ID4b0j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
Ligand Name3MQ
EC.Number E.C.4.2.1.59;5.3.3.14
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=7.1mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Mol.Biol. Vol. 425: pp. 365-377
Ligand Properties
Formula C8H7NO2S
Molecular Weight 181.212
Exact Mass 181.020
No. of atoms 19
No. of bonds 20
Polar Surface Area 74.5
LOGP Value 0.90      (Computed with XLOGP3)
1.90      (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: 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): O33877  
Entrez Gene IDNCBI Entrez Gene ID: 881984  
ASDInformation of known allosteric effects of PDB entries
 
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