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: 4cc5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cc6RCSB PDB    PDBbind318aa, >4CC6_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 ID4cc5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBacterial DNA Ligase
Ligand NameL5V
EC.Number E.C.6.5.1.2
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)Kd=38uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Med.Chem.Lett. Vol. 4: pp. 1208-1212
Ligand Properties
Formula C6H4ClN5
Molecular Weight 181.582
Exact Mass 181.016
No. of atoms 16
No. of bonds 17
Polar Surface Area 67.35
LOGP Value -0.01      (Computed with XLOGP3)
0.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): Q9AIU7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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