Browse entries in the PDBbind-CN Database

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Related entries of code: 4cl6
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%
4b0jRCSB PDB    PDBbind171aa, >4B0J_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 ID4cl6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
Ligand Name7SB
EC.Number E.C.4.2.1.59
Resolution 2.41(Å)
Affinity (Kd/Ki/IC50)Kd=4.05uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Mol.Biol. Vol. 428: pp. 108-120
Ligand Properties
Formula C13H11ClN4O
Molecular Weight 274.706
Exact Mass 274.062
No. of atoms 30
No. of bonds 32
Polar Surface Area 66.74
LOGP Value 2.68      (Computed with XLOGP3)
3.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): O33877  
Entrez Gene IDNCBI Entrez Gene ID: 881984  
ASDInformation of known allosteric effects of PDB entries

 
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