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Related entries of code: 3pgu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1fe3RCSB PDB    PDBbindOLA
1g74RCSB PDB    PDBbindOLA
1gniRCSB PDB    PDBbindOLA
1hmsRCSB PDB    PDBbindOLA
1lfoRCSB PDB    PDBbindOLA
1vyfRCSB PDB    PDBbindOLA
2lkkRCSB PDB    PDBbindOLA

Entry Information
PDB ID3pgu
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLong-chain fatty acid transport protein, EcFadL
Ligand NameOLA
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.2uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Proc.Natl.Acad.Sci.USA Vol. 108: pp. 10121-10126
Ligand Properties
Formula C11H18O2
Molecular Weight 182.259
Exact Mass 182.131
No. of atoms 31
No. of bonds 30
Polar Surface Area 37.3
LOGP Value 3.97      (Computed with XLOGP3)
3.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P10384  
Entrez Gene IDNCBI Entrez Gene ID: 946820  
ASDInformation of known allosteric effects of PDB entries

 
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