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: 4gah
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4gah
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameThioesterase superfamily member 4
Ligand Name0ET
EC.Number E.C.3.1.2.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=0.8uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 6490-6492
Ligand Properties
Formula C32H59N7O17P3S
Molecular Weight 938.834
Exact Mass 938.290
No. of atoms 119
No. of bonds 121
Polar Surface Area 442.34
LOGP Value -2.61      (Computed with XLOGP3)
1.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 3
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): Q5T1C6  
Entrez Gene IDNCBI Entrez Gene ID: 117145  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2022    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