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: 5my8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5mxxRCSB PDB    PDBbind399aa, >5MXX_1|Chain... *
5xv7RCSB PDB    PDBbind372aa, >5XV7_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5my8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSerine/arginine-protein kinase 1
Ligand NameRXZ
EC.Number E.C.2.7.11.1
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=72nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Chem. Biol. Vol. 12: pp. 825-832
Ligand Properties
Formula C27H25F3N5O2
Molecular Weight 508.515
Exact Mass 508.196
No. of atoms 62
No. of bonds 66
Polar Surface Area 75.7
LOGP Value 4.03      (Computed with XLOGP3)
5.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): Q96SB4  
Entrez Gene IDNCBI Entrez Gene ID: 6732  
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