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Related entries of code: 4hva
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
4nbkRCSB PDB    PDBbind282aa, >4NBK_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 ID4hva
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaspase-6
Ligand Name4HV
EC.Number E.C.
Resolution 2.07(Å)
Affinity (Kd/Ki/IC50)Kd=1.3uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e50864-e50864
Ligand Properties
Formula C23H22N2O5
Molecular Weight 406.431
Exact Mass 406.153
No. of atoms 52
No. of bonds 54
Polar Surface Area 104.72
LOGP Value 2.93      (Computed with XLOGP3)
3.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
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): P55212  
Entrez Gene IDNCBI Entrez Gene ID: 839  
ASDInformation of known allosteric effects of PDB entries

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