Browse entries in the PDBbind-CN Database

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Related entries of code: 4fea
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f1jRCSB PDB    PDBbind305aa, >1F1J_1|Chains... *
2ql5RCSB PDB    PDBbind97aa, >2QL5_2|Chains... at 100%
2ql7RCSB PDB    PDBbind97aa, >2QL7_2|Chains... at 100%
2ql9RCSB PDB    PDBbind97aa, >2QL9_2|Chains... at 100%
2qlbRCSB PDB    PDBbind97aa, >2QLB_2|Chains... at 100%
2qlfRCSB PDB    PDBbind173aa, >2QLF_1|Chains... at 99%
2qljRCSB PDB    PDBbind97aa, >2QLJ_2|Chains... at 100%
3ibcRCSB PDB    PDBbind97aa, >3IBC_2|Chains... at 100%
4jj8RCSB PDB    PDBbind255aa, >4JJ8_1|Chains... at 96%
5v6uRCSB PDB    PDBbind303aa, >5V6U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4fea
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaspase-7
Ligand Name0TE
EC.Number E.C.3.4.22.60
Resolution 3.79(Å)
Affinity (Kd/Ki/IC50)Ki=0.34uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Mol.Cell Vol. 47: pp. 585-595
Ligand Properties
Formula C13H12ClCuN4S2
Molecular Weight 387.390
Exact Mass 385.949
No. of atoms 33
No. of bonds 36
Polar Surface Area 98.55
LOGP Value 4.62      (Computed with XLOGP3)
2.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P55210  
Entrez Gene IDNCBI Entrez Gene ID: 840  
ASDInformation of known allosteric effects of PDB entries
 
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