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: 3zqe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1e3vRCSB PDB    PDBbindDXC
4qn9RCSB PDB    PDBbindDXC

Entry Information
PDB ID3zqe
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePrgI-SipD (Deletion of domain 1)
Ligand NameDXC
EC.Number E.C.-.-.-.-
Resolution 2.19(Å)
Affinity (Kd/Ki/IC50)Kd=59.0uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Pathog. Vol. 7: pp. 02163
Ligand Properties
Formula C24H40O4
Molecular Weight 392.572
Exact Mass 392.293
No. of atoms 68
No. of bonds 71
Polar Surface Area 77.76
LOGP Value 6.36      (Computed with XLOGP3)
4.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): P41784  Q56026  
Entrez Gene IDNCBI Entrez Gene ID: 1254396  1254406  
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