Browse entries in the PDBbind-CN Database

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Related entries of code: 3agl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1re8RCSB PDB    PDBbind350aa, >1RE8_1|Chain... at 98%
1rejRCSB PDB    PDBbind350aa, >1REJ_1|Chain... at 98%
1rekRCSB PDB    PDBbind350aa, >1REK_1|Chain... at 98%
1szmRCSB PDB    PDBbind350aa, >1SZM_1|Chains... at 98%
3ag9RCSB PDB    PDBbind351aa, >3AG9_1|Chains... at 99%
3agmRCSB PDB    PDBbind351aa, >3AGM_1|Chain... at 100%
3bwjRCSB PDB    PDBbind350aa, >3BWJ_1|Chain... at 99%
5izfRCSB PDB    PDBbind351aa, >5IZF_1|Chain... at 100%
5izjRCSB PDB    PDBbind351aa, >5IZJ_1|Chains... at 100%
5j5xRCSB PDB    PDBbind351aa, >5J5X_1|Chain... at 100%
6c0uRCSB PDB    PDBbind354aa, >6C0U_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3agl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamecAMP-dependent protein kinase (PKAc)
Ligand NameA03
EC.Number E.C.2.7.11.11
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=16nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J. Mol. Biol. Vol. 403, pp. 66鈥77
Ligand Properties
Formula C37H65N17O9
Molecular Weight 892.020
Exact Mass 891.515
No. of atoms 128
No. of bonds 130
Polar Surface Area 439.92
LOGP Value -0.62      (Computed with XLOGP3)
-2.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 26
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): P17612  
Entrez Gene IDNCBI Entrez Gene ID: 5566  
ASDInformation of known allosteric effects of PDB entries

 
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