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Related entries of code: 1rek
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1re8RCSB PDB    PDBbind350aa, >1RE8:A|PDBID|CHAIN|... at 98%
1rejRCSB PDB    PDBbind350aa, >1REJ:A|PDBID|CHAIN|... at 98%
1szmRCSB PDB    PDBbind350aa, >1SZM:B|PDBID|CHAIN|... at 98%
3ag9RCSB PDB    PDBbind351aa, >3AG9:B|PDBID|CHAIN|... at 99%
3aglRCSB PDB    PDBbind351aa, >3AGL:B|PDBID|CHAIN|... at 100%
3agmRCSB PDB    PDBbind351aa, >3AGM:A|PDBID|CHAIN|... at 100%
3bwjRCSB PDB    PDBbind350aa, >3BWJ:A|PDBID|CHAIN|... at 99%
5izfRCSB PDB    PDBbind351aa, >5IZF:A|PDBID|CHAIN|... at 100%
5izjRCSB PDB    PDBbind351aa, >5IZJ:B|PDBID|CHAIN|... at 100%
5j5xRCSB PDB    PDBbind351aa, >5J5X:A|PDBID|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 ID1rek
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecyclin dependent kinase 2
Ligand NameB8L
EC.Number E.C.2.7.1.37
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=200nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceBiochemistry v43 pp. 85-96, 2004
Ligand Properties
Formula C32H37N2O7
Molecular Weight 561.645
Exact Mass 561.260
No. of atoms 78
No. of bonds 81
Polar Surface Area 138.77
LOGP Value 5.76      (Computed with XLOGP3)
5.49      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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): P05132  
Entrez Gene IDNCBI Entrez Gene ID: 18747  
ASDInformation of known allosteric effects of PDB entries

 
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