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: 5h6v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5yofRCSB PDB    PDBbind53aa, >5YOF_1|Chain... *
5zmqRCSB PDB    PDBbind53aa, >5ZMQ_1|Chains... at 100%
5zmsRCSB PDB    PDBbind53aa, >5ZMS_1|Chains... at 100%
5zobRCSB PDB    PDBbind53aa, >5ZOB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5yofRCSB PDB    PDBbind7HS

Entry Information
PDB ID5h6v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGenome polyprotein
Ligand Name7HS
EC.Number E.C.-.-.-.-
Resolution 2.42(Å)
Affinity (Kd/Ki/IC50)IC50=208nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Structure Vol. 25: pp. 1242-1250.e3
Ligand Properties
Formula C14H30N6O3
Molecular Weight 330.426
Exact Mass 330.238
No. of atoms 53
No. of bonds 52
Polar Surface Area 168.92
LOGP Value -0.11      (Computed with XLOGP3)
-2.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
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): H8XX12  
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