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: 3d0e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jdoRCSB PDB    PDBbind342aa, >2JDO_1|Chain... *
2x39RCSB PDB    PDBbind342aa, >2X39_1|Chain... at 100%
2xh5RCSB PDB    PDBbind342aa, >2XH5_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5u94RCSB PDB    PDBbindG93

Entry Information
PDB ID3d0e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namekinase domain of AKT2
Ligand NameG93
EC.Number E.C.2.7.11.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=4nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 5663-5679
Ligand Properties
Formula C21H28N7O3
Molecular Weight 426.492
Exact Mass 426.225
No. of atoms 59
No. of bonds 62
Polar Surface Area 141.72
LOGP Value 0.27      (Computed with XLOGP3)
2.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): P31751  
Entrez Gene IDNCBI Entrez Gene ID: 208  
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