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Related entries of code: 3bqc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zjwRCSB PDB    PDBbind340aa, >2ZJW:A|PDBID|CHAIN|... at 96%
3at3RCSB PDB    PDBbind340aa, >3AT3:A|PDBID|CHAIN|... at 96%
3at4RCSB PDB    PDBbind340aa, >3AT4:A|PDBID|CHAIN|... at 96%
3h30RCSB PDB    PDBbind334aa, >3H30:B|PDBID|CHAIN|... at 97%
3mb6RCSB PDB    PDBbind331aa, >3MB6:A|PDBID|CHAIN|... at 98%
3mb7RCSB PDB    PDBbind331aa, >3MB7:A|PDBID|CHAIN|... at 98%
3ngaRCSB PDB    PDBbind333aa, >3NGA:B|PDBID|CHAIN|... at 98%
3owjRCSB PDB    PDBbind331aa, >3OWJ:A|PDBID|CHAIN|... at 98%
3owkRCSB PDB    PDBbind331aa, >3OWK:A|PDBID|CHAIN|... at 98%
3owlRCSB PDB    PDBbind331aa, >3OWL:A|PDBID|CHAIN|... at 98%
3pe1RCSB PDB    PDBbind337aa, >3PE1:A|PDBID|CHAIN|... at 97%
3pe2RCSB PDB    PDBbind337aa, >3PE2:A|PDBID|CHAIN|... at 97%
3r0tRCSB PDB    PDBbind337aa, >3R0T:A|PDBID|CHAIN|... at 97%
3u4uRCSB PDB    PDBbind333aa, >3U4U:A|PDBID|CHAIN|... at 98%
3u9cRCSB PDB    PDBbind335aa, >3U9C:B|PDBID|CHAIN|... at 97%
4fbxRCSB PDB    PDBbind335aa, >4FBX:A|PDBID|CHAIN|... at 97%
4kwpRCSB PDB    PDBbind336aa, >4KWP:A|PDBID|CHAIN|... at 97%
4rllRCSB PDB    PDBbind335aa, >4RLL:A|PDBID|CHAIN|... at 97%
5cs6RCSB PDB    PDBbind352aa, >5CS6:B|PDBID|CHAIN|... at 100%
5cshRCSB PDB    PDBbind352aa, >5CSH:B|PDBID|CHAIN|... at 100%
5b0xRCSB PDB    PDBbind340aa, >5B0X:A|PDBID|CHAIN|... at 96%
5cquRCSB PDB    PDBbind335aa, >5CQU:A|PDBID|CHAIN|... at 97%
5cspRCSB PDB    PDBbind328aa, >5CSP:A|PDBID|CHAIN|... at 99%
5cu2RCSB PDB    PDBbind352aa, >5CU2:B|PDBID|CHAIN|... at 100%
5cu4RCSB PDB    PDBbind328aa, >5CU4:A|PDBID|CHAIN|... at 99%
5h8bRCSB PDB    PDBbind333aa, >5H8B:B|PDBID|CHAIN|... at 98%
5h8eRCSB PDB    PDBbind333aa, >5H8E:B|PDBID|CHAIN|... at 98%
5h8gRCSB PDB    PDBbind333aa, >5H8G:A|PDBID|CHAIN|... at 98%
5m44RCSB PDB    PDBbind335aa, >5M44:A|PDBID|CHAIN|... at 97%
5m4cRCSB PDB    PDBbind335aa, >5M4C:A|PDBID|CHAIN|... at 97%
5m4fRCSB PDB    PDBbind335aa, >5M4F:A|PDBID|CHAIN|... at 97%
5m4iRCSB PDB    PDBbind335aa, >5M4I:A|PDBID|CHAIN|... at 97%
5mo8RCSB PDB    PDBbind352aa, >5MO8:B|PDBID|CHAIN|... at 100%
5modRCSB PDB    PDBbind352aa, >5MOD:B|PDBID|CHAIN|... at 100%
5moeRCSB PDB    PDBbind352aa, >5MOE:B|PDBID|CHAIN|... at 100%
5n1vRCSB PDB    PDBbind342aa, >5N1V:B|PDBID|CHAIN|... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1f0qRCSB PDB    PDBbindEMO
3ed0RCSB PDB    PDBbindEMO

Entry Information
PDB ID3bqc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Casein kinase II subunit alpha
Ligand NameEMO
EC.Number E.C.2.7.11.1
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=1.85uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2003) Biochem. J., Vol.374, pp.639-646
Ligand Properties
Formula C15H10O5
Molecular Weight 270.237
Exact Mass 270.053
No. of atoms 30
No. of bonds 32
Polar Surface Area 94.83
LOGP Value 2.72      (Computed with XLOGP3)
1.89      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): P68400  
Entrez Gene IDNCBI Entrez Gene ID: 1457  
ASDInformation of known allosteric effects of PDB entries

 
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