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: 3e9i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e9hRCSB PDB    PDBbind493aa, >3E9H_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3e9i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLysyl-tRNA synthetase from Bacillus stearothermophilus
Ligand NameXAH
EC.Number E.C.6.1.1.6
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.6uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biochem. Vol. 145: pp. 555-563
Ligand Properties
Formula C16H30N8O8P
Molecular Weight 493.432
Exact Mass 493.192
No. of atoms 63
No. of bonds 65
Polar Surface Area 276.2
LOGP Value -4.33      (Computed with XLOGP3)
-3.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 16
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): Q9RHV9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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