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: 6s9x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2uvmRCSB PDB    PDBbind123aa, >2UVM_1|Chain... at 96%
3o96RCSB PDB    PDBbind446aa, >3O96_1|Chain... at 98%
4ejnRCSB PDB    PDBbind446aa, >4EJN_1|Chain... at 100%
5kcvRCSB PDB    PDBbind460aa, >5KCV_1|Chain... *
6hhjRCSB PDB    PDBbind446aa, >6HHJ_1|Chain... at 100%
6hhhRCSB PDB    PDBbind446aa, >6HHH_1|Chain... at 100%
6hhiRCSB PDB    PDBbind446aa, >6HHI_1|Chain... at 100%
6hhgRCSB PDB    PDBbind446aa, >6HHG_1|Chain... at 100%
6s9wRCSB PDB    PDBbind446aa, >6S9W_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6s9x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRAC-alpha serine/threonine-protein kinase, AKT1
Ligand NameL1W
EC.Number E.C.2.7.11.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=381nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Angew.Chem.Int.Ed.Engl. Vol. 58: pp. 18823-18829
Ligand Properties
Formula C39H39N6O4
Molecular Weight 655.765
Exact Mass 655.303
No. of atoms 88
No. of bonds 94
Polar Surface Area 140.21
LOGP Value 5.07      (Computed with XLOGP3)
5.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 7
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): P31749  
Entrez Gene IDNCBI Entrez Gene ID: 207  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2023    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