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: 4f6w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rgfRCSB PDB    PDBbind285aa, >3RGF_2|Chain... at 100%
4crlRCSB PDB    PDBbind285aa, >4CRL_2|Chain... at 100%
4f6sRCSB PDB    PDBbind287aa, >4F6S_2|Chain... *
4f6uRCSB PDB    PDBbind287aa, >4F6U_2|Chain... at 100%
4f70RCSB PDB    PDBbind287aa, >4F70_2|Chain... at 100%
4f7jRCSB PDB    PDBbind287aa, >4F7J_2|Chain... at 100%
4f7lRCSB PDB    PDBbind287aa, >4F7L_2|Chain... at 100%
4f7nRCSB PDB    PDBbind287aa, >4F7N_2|Chain... at 100%
5bnjRCSB PDB    PDBbind285aa, >5BNJ_2|Chain... at 100%
5ceiRCSB PDB    PDBbind287aa, >5CEI_2|Chain... at 100%
5fgkRCSB PDB    PDBbind266aa, >5FGK_2|Chain... at 100%
5hbeRCSB PDB    PDBbind266aa, >5HBE_2|Chain... at 100%
5hbhRCSB PDB    PDBbind270aa, >5HBH_2|Chain... at 99%
5hbjRCSB PDB    PDBbind270aa, >5HBJ_2|Chain... at 99%
5hvyRCSB PDB    PDBbind287aa, >5HVY_2|Chain... at 100%
5i5zRCSB PDB    PDBbind266aa, >5I5Z_2|Chain... at 100%
5icpRCSB PDB    PDBbind267aa, >5ICP_2|Chain... at 100%
5idnRCSB PDB    PDBbind267aa, >5IDN_2|Chain... at 100%
5idpRCSB PDB    PDBbind268aa, >5IDP_2|Chain... at 100%
5xqxRCSB PDB    PDBbind263aa, >5XQX_2|Chain... at 100%
5xs2RCSB PDB    PDBbind263aa, >5XS2_2|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 ID4f6w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman CDK8/CYCC
Ligand Name0SS
EC.Number E.C.2.7.11.22
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)Kd=0.03uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 8081-8086
Ligand Properties
Formula C36H50N9O2
Molecular Weight 640.841
Exact Mass 640.409
No. of atoms 97
No. of bonds 101
Polar Surface Area 113.55
LOGP Value 6.37      (Computed with XLOGP3)
6.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 11
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): P24863  P49336  
Entrez Gene IDNCBI Entrez Gene ID: 892  1024  
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