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: 3jzb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4lnwRCSB PDB    PDBbind267aa, >4LNW_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1nq0RCSB PDB    PDBbind4HY
3jzcRCSB PDB    PDBbind4HY
4yx9RCSB PDB    PDBbind4HY

Entry Information
PDB ID3jzb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTHRA protein alpha
Ligand Name4HY
EC.Number E.C.-.-.-.-
Resolution 2.01(Å)
Affinity (Kd/Ki/IC50)IC50=0.97nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proc.Natl.Acad.Sci.USA
Ligand Properties
Formula C14H21I3O4
Molecular Weight 634.028
Exact Mass 633.857
No. of atoms 42
No. of bonds 43
Polar Surface Area 69.92
LOGP Value 2.58      (Computed with XLOGP3)
2.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 4
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): P10827  
Entrez Gene IDNCBI Entrez Gene ID: 7067  
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