Browse entries in the PDBbind-CN Database

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Related entries of code: 4n6g
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... *
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
4n7jRCSB PDB    PDBbind2GQ
4n7mRCSB PDB    PDBbind2GQ

Entry Information
PDB ID4n6g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameproCaspase-6
Ligand Name2GQ
EC.Number E.C.3.4.22.59
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Kd=3.4uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chemmedchem Vol. 9: pp. 73-77
Ligand Properties
Formula C9H8N2O
Molecular Weight 160.173
Exact Mass 160.064
No. of atoms 20
No. of bonds 21
Polar Surface Area 52.95
LOGP Value 0.74      (Computed with XLOGP3)
1.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
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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