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: 4d8s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ks1RCSB PDB    PDBbind390aa, >4KS1_1|Chain... at 98%
4ks2RCSB PDB    PDBbind390aa, >4KS2_1|Chain... at 98%
4ks3RCSB PDB    PDBbind390aa, >4KS3_1|Chain... at 98%
4ks4RCSB PDB    PDBbind390aa, >4KS4_1|Chain... at 98%
4ks5RCSB PDB    PDBbind390aa, >4KS5_1|Chain... at 98%
4m3mRCSB PDB    PDBbind390aa, >4M3M_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4d8s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNeuraminidase (G293N mutation)
Ligand Name0HX
EC.Number E.C.3.2.1.18
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=0.32uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 8963-8968
Ligand Properties
Formula C13H21NO6
Molecular Weight 287.309
Exact Mass 287.137
No. of atoms 41
No. of bonds 41
Polar Surface Area 105.09
LOGP Value 1.56      (Computed with XLOGP3)
0.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): Q07599  
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