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: 4url
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4urnRCSB PDB    PDBbind225aa, >4URN_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4urmRCSB PDB    PDBbindXAM

Entry Information
PDB ID4url
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDNA TOPOISOMERASE IV, B SUBUNIT ParE43
Ligand NameXAM
EC.Number E.C.5.99.1.3
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)IC50=500nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acs Chem.Biol. Vol. 9: pp. 2023-2031
Ligand Properties
Formula C44H60Cl2N4O14
Molecular Weight 939.872
Exact Mass 938.348
No. of atoms 124
No. of bonds 129
Polar Surface Area 258.5
LOGP Value 4.86      (Computed with XLOGP3)
5.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 6
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 ACNo matched UniProt accession number (AC) found!
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