Browse entries in the PDBbind-CN Database

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Related entries of code: 3upz
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%
3v51RCSB PDB    PDBbind484aa, >3V51_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
3uqgRCSB PDB    PDBbindB5A

Entry Information
PDB ID3upz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCalmodulin-domain protein kinase 1
Ligand NameB5A
EC.Number E.C.2.7.11.17
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki>2.5uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 2803-2810
Ligand Properties
Formula C11H17N6
Molecular Weight 233.293
Exact Mass 233.151
No. of atoms 34
No. of bonds 36
Polar Surface Area 86.23
LOGP Value 0.09      (Computed with XLOGP3)
1.53      (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: 6
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): Q9BJF5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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