Browse entries in the PDBbind-CN Database

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Related entries of code: 4gs8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e4aRCSB PDB    PDBbind1019aa, >3E4A_1|Chains... *
4dttRCSB PDB    PDBbind990aa, >4DTT_1|Chains... at 98%
4dwkRCSB PDB    PDBbind990aa, >4DWK_1|Chains... at 98%
4gscRCSB PDB    PDBbind990aa, >4GSC_1|Chains... at 98%
4ifhRCSB PDB    PDBbind990aa, >4IFH_1|Chains... at 98%
4lteRCSB PDB    PDBbind978aa, >4LTE_1|Chains... at 100%
4nxoRCSB PDB    PDBbind990aa, >4NXO_1|Chains... at 98%
4re9RCSB PDB    PDBbind990aa, >4RE9_1|Chains... at 98%
6mq3RCSB PDB    PDBbind978aa, >6MQ3_1|Chains... at 100%
6byzRCSB PDB    PDBbind1019aa, >6BYZ_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 ID4gs8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman insulin degrading enzyme (ide)
Ligand NameMGJ
EC.Number E.C.3.4.24.56
Resolution 2.99(Å)
Affinity (Kd/Ki/IC50)IC50=0.1uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Eur.J.Med.Chem. Vol. 79: pp. 184-193
Ligand Properties
Formula C20H28N5O4
Molecular Weight 402.467
Exact Mass 402.214
No. of atoms 57
No. of bonds 58
Polar Surface Area 128.62
LOGP Value -0.37      (Computed with XLOGP3)
-0.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 9
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): P14735  
Entrez Gene IDNCBI Entrez Gene ID: 3416  
ASDInformation of known allosteric effects of PDB entries
 
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