Browse entries in the PDBbind-CN Database

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Related entries of code: 6e4u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cfeRCSB PDB    PDBbind286aa, >4CFE_2|Chains... *
4cffRCSB PDB    PDBbind286aa, >4CFF_2|Chains... at 100%
4qfgRCSB PDB    PDBbind204aa, >4QFG_2|Chain... at 96%
4qfrRCSB PDB    PDBbind204aa, >4QFR_2|Chain... at 96%
4qfsRCSB PDB    PDBbind204aa, >4QFS_2|Chain... at 96%
5kq5RCSB PDB    PDBbind204aa, >5KQ5_2|Chain... at 96%
6e4tRCSB PDB    PDBbind204aa, >6E4T_2|Chain... at 97%
6e4wRCSB PDB    PDBbind204aa, >6E4W_2|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6e4u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAmpk alpha1beta1gamma1
Ligand NameHU7
EC.Number E.C.2.7.11.1
Resolution 3.27(Å)
Affinity (Kd/Ki/IC50)Kd=13.6nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7273-7288
Ligand Properties
Formula C23H24ClN3O9
Molecular Weight 521.904
Exact Mass 521.120
No. of atoms 60
No. of bonds 63
Polar Surface Area 174.67
LOGP Value 2.85      (Computed with XLOGP3)
1.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
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): P54645  P80385  P80386  
Entrez Gene IDNCBI Entrez Gene ID: 65248  25520  83803  
ASDInformation of known allosteric effects of PDB entries

 
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