Browse entries in the PDBbind-CN Database

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Related entries of code: 5eci
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5echRCSB PDB    PDBbind223aa, >5ECH_2|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5echRCSB PDB    PDBbindJAA

Entry Information
PDB ID5eci
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFIN219-FIP1
Ligand NameJAA
EC.Number E.C.-.-.-.-
Resolution 1.56(Å)
Affinity (Kd/Ki/IC50)Kd=0.16mM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. E1815-E1824
Ligand Properties
Formula C12H20O3
Molecular Weight 212.285
Exact Mass 212.141
No. of atoms 35
No. of bonds 35
Polar Surface Area 54.37
LOGP Value 3.79      (Computed with XLOGP3)
2.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): Q8L7C9  Q9SKE2  
Entrez Gene IDNCBI Entrez Gene ID: 844173  819244  
ASDInformation of known allosteric effects of PDB entries

 
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