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: 4nak
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yc3RCSB PDB    PDBbind228aa, >2YC3_1|Chain... *
2yc5RCSB PDB    PDBbind228aa, >2YC5_1|Chain... at 100%
2ycmRCSB PDB    PDBbind227aa, >2YCM_1|Chain... at 100%
4nalRCSB PDB    PDBbind228aa, >4NAL_1|Chain... at 100%
4nanRCSB PDB    PDBbind228aa, >4NAN_1|Chain... at 100%
5mrmRCSB PDB    PDBbind228aa, >5MRM_1|Chain... at 100%
5mroRCSB PDB    PDBbind228aa, >5MRO_1|Chain... at 99%
5mrpRCSB PDB    PDBbind228aa, >5MRP_1|Chain... 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 ID4nak
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNon-Mevalonate Pathway Enzyme IspD from Arabidopsis thaliana
Ligand NamePBQ
EC.Number E.C.2.7.7.60
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=1.4uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Angew.Chem.Int.Ed.Engl. Vol. 53: pp. 2235-2239
Ligand Properties
Formula C10H4Br5NO
Molecular Weight 553.665
Exact Mass 548.621
No. of atoms 21
No. of bonds 22
Polar Surface Area 36.02
LOGP Value 5.81      (Computed with XLOGP3)
6.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): P69834  
Entrez Gene IDNCBI Entrez Gene ID: 814779  
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