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: 3ern
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2amtRCSB PDB    PDBbind159aa, >2AMT_1|Chains... at 100%
2gzlRCSB PDB    PDBbind159aa, >2GZL_1|Chain... at 100%
3elcRCSB PDB    PDBbind165aa, >3ELC_1|Chains... *
3eorRCSB PDB    PDBbind165aa, >3EOR_1|Chain... at 100%
3esjRCSB PDB    PDBbind165aa, >3ESJ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3ern
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand NameCAR
EC.Number E.C.4.6.1.12
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=18.91mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 2531-2542
Ligand Properties
Formula C9H15N3O8P
Molecular Weight 324.204
Exact Mass 324.060
No. of atoms 36
No. of bonds 37
Polar Surface Area 194.84
LOGP Value -4.02      (Computed with XLOGP3)
-2.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
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): P62617  
Entrez Gene IDNCBI Entrez Gene ID: 61754363  945057  
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