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: 5npf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5o0sRCSB PDB    PDBbind787aa, >5O0S_1|Chain... at 99%
5ostRCSB PDB    PDBbind799aa, >5OST_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 ID5npf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlucosylceramidase
Ligand Name945
EC.Number E.C.-.-.-.-
Resolution 1.38(Å)
Affinity (Kd/Ki/IC50)IC50=58uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Cent Sci Vol. 3: pp. 784-793
Ligand Properties
Formula C7H16O8S
Molecular Weight 260.262
Exact Mass 260.057
No. of atoms 32
No. of bonds 32
Polar Surface Area 176.14
LOGP Value -2.29      (Computed with XLOGP3)
-1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): F6BL85  
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