Browse entries in the PDBbind-CN Database

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Related entries of code: 3mwu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2weiRCSB PDB    PDBbind287aa, >2WEI_1|Chain... at 99%
3ncgRCSB PDB    PDBbind486aa, >3NCG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3n51RCSB PDB    PDBbindBK3

Entry Information
PDB ID3mwu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCalmodulin-domain protein kinase 1, CpCDPK1
Ligand NameBK3
EC.Number E.C.2.7.11.17
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) ACS Med Chem Lett Vol. 1: pp. 331-335
Ligand Properties
Formula C22H25N6
Molecular Weight 373.474
Exact Mass 373.214
No. of atoms 53
No. of bonds 57
Polar Surface Area 86.23
LOGP Value 3.29      (Computed with XLOGP3)
4.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): A3FQ16  
Entrez Gene IDNCBI Entrez Gene ID: 3373944  
ASDInformation of known allosteric effects of PDB entries

 
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