Browse entries in the PDBbind-CN Database

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Related entries of code: 4cff
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cfeRCSB PDB    PDBbind286aa, >4CFE_2|Chains... *
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%
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 ID4cff
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2 / BETA-1 / GAMMA-1
Ligand NameC1V
EC.Number E.C.2.7.11.1; 2.7.11.27; 2.7.11.31
Resolution 3.92(Å)
Affinity (Kd/Ki/IC50)Kd=0.40uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nat.Commun. Vol. 4: pp. 3017
Ligand Properties
Formula C20H12N2O3S
Molecular Weight 360.386
Exact Mass 360.057
No. of atoms 38
No. of bonds 41
Polar Surface Area 125.61
LOGP Value 4.99      (Computed with XLOGP3)
4.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P54619  Q9Y478  P54646  
Entrez Gene IDNCBI Entrez Gene ID: 5571  5564  5563  
ASDInformation of known allosteric effects of PDB entries
 
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