Browse entries in the PDBbind-CN Database

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Related entries of code: 4re9
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%
4gs8RCSB PDB    PDBbind990aa, >4GS8_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%
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 ID4re9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman insulin degrading enzyme (IDE)
Ligand Name3M9
EC.Number E.C.3.4.24.56
Resolution 2.91(Å)
Affinity (Kd/Ki/IC50)IC50=12.1uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nat Commun Vol. 6: pp. 8250-8250
Ligand Properties
Formula C24H22FN5O3
Molecular Weight 447.462
Exact Mass 447.171
No. of atoms 55
No. of bonds 58
Polar Surface Area 109.14
LOGP Value 2.53      (Computed with XLOGP3)
3.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
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): P14735  
Entrez Gene IDNCBI Entrez Gene ID: 3416  
ASDInformation of known allosteric effects of PDB entries
 
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