Browse entries in the PDBbind-CN Database

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Related entries of code: 4qfs
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%
5kq5RCSB PDB    PDBbind204aa, >5KQ5_2|Chain... at 96%
6e4tRCSB PDB    PDBbind204aa, >6E4T_2|Chain... at 97%
6e4uRCSB PDB    PDBbind204aa, >6E4U_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 ID4qfs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name5'-AMP-activated protein kinase catalytic subunit AMPK alpha1-belta1-gamma1
Ligand Name32H
EC.Number E.C.2.7.11.31
Resolution 3.55(Å)
Affinity (Kd/Ki/IC50)Kd=0.9uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Structure Vol. 22: pp. 1161-1172
Ligand Properties
Formula C14H6Br2N2O2S
Molecular Weight 426.083
Exact Mass 423.852
No. of atoms 27
No. of bonds 29
Polar Surface Area 105.12
LOGP Value 4.53      (Computed with XLOGP3)
4.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
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): P54645  P80385  P80386  
Entrez Gene IDNCBI Entrez Gene ID: 65248  25520  83803  
ASDInformation of known allosteric effects of PDB entries

 
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