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: 1onp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t1rRCSB PDB    PDBbind398aa, >1T1R:B|PDBID|CHAIN|... at 99%
1t1sRCSB PDB    PDBbind398aa, >1T1S:B|PDBID|CHAIN|... at 99%
3r0iRCSB PDB    PDBbind410aa, >3R0I:B|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3upyRCSB PDB    PDBbindFOM

Entry Information
PDB ID1onp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
Ligand NameFOM
EC.Number E.C.1.1.1.267
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=0.030uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference (2011) ACS Med. Chem. Lett., Vol.2, pp.165-170
Ligand Properties
Formula C4H10NO5P
Molecular Weight 183.100
Exact Mass 183.030
No. of atoms 21
No. of bonds 20
Polar Surface Area 120.78
LOGP Value -2.25      (Computed with XLOGP3)
0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P45568  
Entrez Gene IDNCBI Entrez Gene ID: 945019  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China