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: 4jlg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xqhRCSB PDB    PDBbind264aa, >1XQH_1|Chains... *
3cbpRCSB PDB    PDBbind256aa, >3CBP_1|Chain... at 100%
5ayfRCSB PDB    PDBbind263aa, >5AYF_1|Chain... at 92%
5yltRCSB PDB    PDBbind263aa, >5YLT_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4jlg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase SETD7
Ligand Name1L8
EC.Number E.C.2.1.1.43
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=2.0nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. 12853-12858
Ligand Properties
Formula C23H26F4N3O3S
Molecular Weight 500.529
Exact Mass 500.163
No. of atoms 60
No. of bonds 63
Polar Surface Area 91.47
LOGP Value 3.28      (Computed with XLOGP3)
4.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
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): Q8WTS6  
Entrez Gene IDNCBI Entrez Gene ID: 80854  
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