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Related entries of code: 3v51
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3i7bRCSB PDB    PDBbind484aa, >3I7B_1|Chain... at 97%
3i7cRCSB PDB    PDBbind484aa, >3I7C_1|Chain... at 97%
3n51RCSB PDB    PDBbind484aa, >3N51_1|Chain... at 97%
3sx9RCSB PDB    PDBbind484aa, >3SX9_1|Chain... at 97%
3sxfRCSB PDB    PDBbind484aa, >3SXF_1|Chain... at 97%
3t3uRCSB PDB    PDBbind484aa, >3T3U_1|Chain... at 97%
3t3vRCSB PDB    PDBbind484aa, >3T3V_1|Chain... at 97%
3upxRCSB PDB    PDBbind484aa, >3UPX_1|Chain... at 97%
3upzRCSB PDB    PDBbind484aa, >3UPZ_1|Chain... at 97%
3v5pRCSB PDB    PDBbind484aa, >3V5P_1|Chain... at 97%
3v5tRCSB PDB    PDBbind484aa, >3V5T_1|Chain... at 97%
4m84RCSB PDB    PDBbind484aa, >4M84_1|Chain... at 97%
4mx9RCSB PDB    PDBbind485aa, >4MX9_1|Chain... *
4mxaRCSB PDB    PDBbind485aa, >4MXA_1|Chain... at 100%
4onaRCSB PDB    PDBbind484aa, >4ONA_1|Chain... at 97%
4yjnRCSB PDB    PDBbind484aa, >4YJN_1|Chain... at 97%
6bfaRCSB PDB    PDBbind484aa, >6BFA_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4dggRCSB PDB    PDBbindI76

Entry Information
PDB ID3v51
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCalmodulin-domain protein kinase 1
Ligand NameI76
EC.Number E.C.2.7.11.17
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=2.8nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 2803-2810
Ligand Properties
Formula C25H22ClN5O
Molecular Weight 443.928
Exact Mass 443.151
No. of atoms 54
No. of bonds 58
Polar Surface Area 78.85
LOGP Value 5.54      (Computed with XLOGP3)
6.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
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): Q9BJF5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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