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: 3b5j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2pmkRCSB PDB    PDBbind243aa, >2PMK_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3b5j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS504A Mutant of Alpha-hemolysin translocation ATP-binding protein hlyB(HlyB-NBD)
Ligand Name12D
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=2.1uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Struct.Biol. Vol. 162: pp. 85-93
Ligand Properties
Formula C16H18N8O16P2
Molecular Weight 640.306
Exact Mass 640.032
No. of atoms 60
No. of bonds 64
Polar Surface Area 381.56
LOGP Value -3.97      (Computed with XLOGP3)
0.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 5
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): P08716  
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 ©2007-2021    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