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: 5he0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ah8RCSB PDB    PDBbind78aa, >3AH8_3|Chain... *
3krwRCSB PDB    PDBbind74aa, >3KRW_3|Chain... at 90%
3krxRCSB PDB    PDBbind74aa, >3KRX_3|Chain... at 90%
3pvuRCSB PDB    PDBbind74aa, >3PVU_3|Chain... at 90%
3pvwRCSB PDB    PDBbind74aa, >3PVW_3|Chain... at 90%
4mk0RCSB PDB    PDBbind59aa, >4MK0_3|Chain... at 100%
4pnkRCSB PDB    PDBbind71aa, >4PNK_3|Chain... at 100%
5he1RCSB PDB    PDBbind71aa, >5HE1_3|Chain... at 100%
5he2RCSB PDB    PDBbind71aa, >5HE2_3|Chain... at 100%
5he3RCSB PDB    PDBbind71aa, >5HE3_3|Chain... at 98%
5ukkRCSB PDB    PDBbind57aa, >5UKK_3|Chain... at 100%
5uklRCSB PDB    PDBbind62aa, >5UKL_3|Chain... at 98%
5ukmRCSB PDB    PDBbind71aa, >5UKM_3|Chain... at 98%
5wg3RCSB PDB    PDBbind71aa, >5WG3_3|Chain... at 100%
5wg4RCSB PDB    PDBbind71aa, >5WG4_3|Chain... at 100%
5wg5RCSB PDB    PDBbind71aa, >5WG5_3|Chain... at 100%
6c2yRCSB PDB    PDBbind77aa, >6C2Y_3|Chain... at 92%
6gdgRCSB PDB    PDBbind71aa, >6GDG_3|Chain... at 100%
6n4bRCSB PDB    PDBbind71aa, >6N4B_3|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4wnkRCSB PDB    PDBbind453
Entry Information
PDB ID5he0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBovine GRK2 in complex with G-beta-gamma subunits
Ligand Name453
EC.Number E.C.2.7.11.15
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)IC50=0.15uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 3793-3807
Ligand Properties
Formula C26H22FN7O3
Molecular Weight 499.496
Exact Mass 499.177
No. of atoms 59
No. of bonds 63
Polar Surface Area 141.23
LOGP Value 1.53      (Computed with XLOGP3)
3.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
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): P59768  P62873  P21146  
Entrez Gene IDNCBI Entrez Gene ID: 54331  2782  282682  
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