Browse entries in the PDBbind-CN Database

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Related entries of code: 6aol
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gfdRCSB PDB    PDBbind236aa, >2GFD_1|Chains... at 96%
2o1vRCSB PDB    PDBbind666aa, >2O1V_1|Chains... *
5in9RCSB PDB    PDBbind233aa, >5IN9_1|Chains... at 97%
5wmtRCSB PDB    PDBbind236aa, >5WMT_1|Chains... at 96%
6aomRCSB PDB    PDBbind233aa, >6AOM_1|Chains... at 97%
6bawRCSB PDB    PDBbind236aa, >6BAW_1|Chains... at 96%
6c91RCSB PDB    PDBbind236aa, >6C91_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6aol
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlucose regulated protein 94
Ligand NameVC1
EC.Number E.C.-.-.-.-
Resolution 2.76(Å)
Affinity (Kd/Ki/IC50)Kd=0.54uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Chemistry Vol. 23: pp. 15775-15782
Ligand Properties
Formula C23H20ClFO4
Molecular Weight 414.854
Exact Mass 414.103
No. of atoms 49
No. of bonds 51
Polar Surface Area 66.76
LOGP Value 6.48      (Computed with XLOGP3)
5.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
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): P41148  
Entrez Gene IDNCBI Entrez Gene ID: 404019  
ASDInformation of known allosteric effects of PDB entries

 
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