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: 3kqa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ybgRCSB PDB    PDBbind419aa, >1YBG_1|Chains... *
3issRCSB PDB    PDBbind418aa, >3ISS_1|Chains... at 93%
3upkRCSB PDB    PDBbind419aa, >3UPK_1|Chain... at 100%
3v4tRCSB PDB    PDBbind419aa, >3V4T_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3kqa
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUDP-N-acetylglucosamine 1-carboxyvinyltransferase, MurA
Ligand NameTR9
EC.Number E.C.2.5.1.7
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=14uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 4276-4282
Ligand Properties
Formula C7H10O4
Molecular Weight 158.152
Exact Mass 158.058
No. of atoms 21
No. of bonds 21
Polar Surface Area 80.92
LOGP Value -1.22      (Computed with XLOGP3)
-0.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): P33038  
Entrez Gene IDNCBI Entrez Gene ID: 60932087  
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