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: 4umj
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
2f94RCSB PDB    PDBbindBFQ
6r4vRCSB PDB    PDBbindBFQ

Entry Information
PDB ID4umj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namerecombinant FPPS from P. aeruginosa PA01
Ligand NameBFQ
EC.Number E.C.2.5.1.10
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=2.7uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 721-731
Ligand Properties
Formula C9H26NO7P2
Molecular Weight 322.253
Exact Mass 322.118
No. of atoms 45
No. of bonds 44
Polar Surface Area 173.23
LOGP Value -4.45      (Computed with XLOGP3)
-1.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
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): Q9HWY4  
Entrez Gene IDNCBI Entrez Gene ID: 879058  
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