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: 4gw8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cy2RCSB PDB    PDBbind14aa, >3CY2_2|Chain... *
3jpvRCSB PDB    PDBbind14aa, >3JPV_2|Chain... at 100%
4jx7RCSB PDB    PDBbind14aa, >4JX7_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4azeRCSB PDB    PDBbind3RA
4azfRCSB PDB    PDBbind3RA

Entry Information
PDB ID4gw8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase pim-1
Ligand Name3RA
EC.Number E.C.2.7.11.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.88uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 9312-9330
Ligand Properties
Formula C17H13N3O3
Molecular Weight 307.303
Exact Mass 307.096
No. of atoms 36
No. of bonds 39
Polar Surface Area 72.28
LOGP Value 2.39      (Computed with XLOGP3)
1.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P11309  
Entrez Gene IDNCBI Entrez Gene ID: 5292  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2022    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