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Related entries of code: 4nbk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hvaRCSB PDB    PDBbind265aa, >4HVA_1|Chains... at 99%
4n5dRCSB PDB    PDBbind282aa, >4N5D_1|Chains... *
4n6gRCSB PDB    PDBbind282aa, >4N6G_1|Chains... at 100%
4n7jRCSB PDB    PDBbind282aa, >4N7J_1|Chains... at 100%
4n7mRCSB PDB    PDBbind282aa, >4N7M_1|Chains... at 100%
4nblRCSB PDB    PDBbind282aa, >4NBL_1|Chains... at 100%
4nbnRCSB PDB    PDBbind282aa, >4NBN_1|Chains... 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 ID4nbk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameproCaspase-6
Ligand Name2J5
EC.Number E.C.3.4.22.59
Resolution 1.94(Å)
Affinity (Kd/Ki/IC50)Kd=136uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chemmedchem Vol. 9: pp. 73-77
Ligand Properties
Formula C13H14N2O
Molecular Weight 214.263
Exact Mass 214.111
No. of atoms 30
No. of bonds 31
Polar Surface Area 45.15
LOGP Value 2.67      (Computed with XLOGP3)
2.78      (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: 3
No. of Rings: 2
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): P55212  
Entrez Gene IDNCBI Entrez Gene ID: 839  
ASDInformation of known allosteric effects of PDB entries

 
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