Browse entries in the PDBbind-CN Database

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Related entries of code: 4a9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2cn8RCSB PDB    PDBbind329aa, >2CN8_1|Chain... *
2w0jRCSB PDB    PDBbind323aa, >2W0J_1|Chain... at 100%
2w7xRCSB PDB    PDBbind323aa, >2W7X_1|Chain... at 100%
2wtcRCSB PDB    PDBbind329aa, >2WTC_1|Chain... at 100%
2wtdRCSB PDB    PDBbind329aa, >2WTD_1|Chain... at 100%
2wtiRCSB PDB    PDBbind329aa, >2WTI_1|Chain... at 100%
2wtjRCSB PDB    PDBbind329aa, >2WTJ_1|Chain... at 100%
2xbjRCSB PDB    PDBbind329aa, >2XBJ_1|Chain... at 100%
2xk9RCSB PDB    PDBbind322aa, >2XK9_1|Chain... at 100%
2xm8RCSB PDB    PDBbind329aa, >2XM8_1|Chain... at 100%
2xm9RCSB PDB    PDBbind329aa, >2XM9_1|Chain... at 100%
2ycfRCSB PDB    PDBbind322aa, >2YCF_1|Chain... at 100%
2ycqRCSB PDB    PDBbind323aa, >2YCQ_1|Chain... at 100%
2ycrRCSB PDB    PDBbind323aa, >2YCR_1|Chain... at 99%
2ycsRCSB PDB    PDBbind323aa, >2YCS_1|Chain... at 100%
2yiqRCSB PDB    PDBbind323aa, >2YIQ_1|Chain... at 100%
2yirRCSB PDB    PDBbind323aa, >2YIR_1|Chain... at 100%
2yitRCSB PDB    PDBbind323aa, >2YIT_1|Chain... at 100%
4a9sRCSB PDB    PDBbind329aa, >4A9S_1|Chain... at 100%
4a9tRCSB PDB    PDBbind329aa, >4A9T_1|Chain... at 100%
4a9uRCSB PDB    PDBbind329aa, >4A9U_1|Chain... at 100%
4bdaRCSB PDB    PDBbind329aa, >4BDA_1|Chain... at 100%
4bdbRCSB PDB    PDBbind329aa, >4BDB_1|Chain... at 100%
4bdcRCSB PDB    PDBbind329aa, >4BDC_1|Chain... at 100%
4bddRCSB PDB    PDBbind329aa, >4BDD_1|Chain... at 100%
4bdeRCSB PDB    PDBbind329aa, >4BDE_1|Chain... at 100%
4bdfRCSB PDB    PDBbind329aa, >4BDF_1|Chain... at 100%
4bdgRCSB PDB    PDBbind329aa, >4BDG_1|Chain... at 100%
4bdhRCSB PDB    PDBbind329aa, >4BDH_1|Chain... at 100%
4bdiRCSB PDB    PDBbind329aa, >4BDI_1|Chain... at 100%
4bdjRCSB PDB    PDBbind329aa, >4BDJ_1|Chain... at 100%
4bdkRCSB PDB    PDBbind329aa, >4BDK_1|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 ID4a9r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman SERINE/THREONINE-PROTEIN KINASE CHK2
Ligand NameRU5
EC.Number E.C.2.7.11.1
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)IC50=16nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem. Vol. 20: pp. 6630-6639
Ligand Properties
Formula C20H14ClN3O2
Molecular Weight 363.797
Exact Mass 363.077
No. of atoms 40
No. of bonds 43
Polar Surface Area 81
LOGP Value 4.18      (Computed with XLOGP3)
5.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): O96017  
Entrez Gene IDNCBI Entrez Gene ID: 11200  
ASDInformation of known allosteric effects of PDB entries
 
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