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Related entries of code: 5v6u
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%
4feaRCSB PDB    PDBbind247aa, >4FEA_1|Chains... at 99%
4jj8RCSB PDB    PDBbind255aa, >4JJ8_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5v6u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaspase-7
Ligand Name8YM
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=5470uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 14443-14447
Ligand Properties
Formula C15H12O3S
Molecular Weight 272.319
Exact Mass 272.051
No. of atoms 31
No. of bonds 32
Polar Surface Area 79.67
LOGP Value 4.29      (Computed with XLOGP3)
3.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
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): P55210  
Entrez Gene IDNCBI Entrez Gene ID: 840  
ASDInformation of known allosteric effects of PDB entries
 
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