Browse entries in the PDBbind-CN Database

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Related entries of code: 4n5d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hvaRCSB PDB    PDBbind265aa, >4HVA_1|Chains... at 99%
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 ID4n5d
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCaspase-6
Ligand Name2FQ
EC.Number E.C.3.4.22.59
Resolution 2.06(Å)
Affinity (Kd/Ki/IC50)Kd=607uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chemmedchem Vol. 9: pp. 73-77
Ligand Properties
Formula C9H10N4O
Molecular Weight 190.202
Exact Mass 190.085
No. of atoms 24
No. of bonds 25
Polar Surface Area 69.94
LOGP Value -0.06      (Computed with XLOGP3)
0.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
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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