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: 4du8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qt6RCSB PDB    PDBbind332aa, >3QT6_1|Chains... *
3qt7RCSB PDB    PDBbind332aa, >3QT7_1|Chains... at 100%
4dptRCSB PDB    PDBbind332aa, >4DPT_1|Chains... at 100%
4dpuRCSB PDB    PDBbind332aa, >4DPU_1|Chains... at 99%
4dpyRCSB PDB    PDBbind332aa, >4DPY_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3qt6RCSB PDB    PDBbind2P0
4dpyRCSB PDB    PDBbind2P0

Entry Information
PDB ID4du8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMevalonate diphosphate decarboxylase(D283A)
Ligand Name2P0
EC.Number E.C.4.1.1.33
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=4.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 5611-5621
Ligand Properties
Formula C7H15NO10P2
Molecular Weight 335.142
Exact Mass 335.017
No. of atoms 35
No. of bonds 35
Polar Surface Area 204.4
LOGP Value -2.36      (Computed with XLOGP3)
-1.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
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): Q9FD73  
Entrez Gene IDNCBI Entrez Gene ID: 50019476  
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