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: 1wn6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2z3hRCSB PDB    PDBbind130aa, >2Z3H_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 ID1wn6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBSD
Ligand NameBST
EC.Number E.C.3.5.4.23
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=21uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Biol.Chem. Vol. 282: pp. 37103-37111
Ligand Properties
Formula C17H31N8O6
Molecular Weight 443.478
Exact Mass 443.237
No. of atoms 62
No. of bonds 63
Polar Surface Area 238.53
LOGP Value -3.78      (Computed with XLOGP3)
-3.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
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): P0C2P0  
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