Browse entries in the PDBbind-CN Database

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Related entries of code: 2w87
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
2vzrRCSB PDB    PDBbindGCU
Entry Information
PDB ID2w87
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEsterase D
Ligand NameGCU
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=22.2uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 3065-3070
Ligand Properties
Formula C6H10O7
Molecular Weight 194.139
Exact Mass 194.043
No. of atoms 23
No. of bonds 23
Polar Surface Area 127.45
LOGP Value -1.46      (Computed with XLOGP3)
-3.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
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): Q51815  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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