Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3e4a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
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 ID3e4a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Insulin-degrading IDE enzyme
Ligand NameQIX
EC.Number E.C.3.4.24.56
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=1.7nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Plos One Vol. 5: pp. e10504-e10504
Ligand Properties
Formula C25H35N8O6
Molecular Weight 543.595
Exact Mass 543.268
No. of atoms 74
No. of bonds 75
Polar Surface Area 245.73
LOGP Value 0.42      (Computed with XLOGP3)
-0.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 14
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com