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: 1a4r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1grnRCSB PDB    PDBbind191aa, >1GRN:A|PDBID|CHAIN|... at 98%
3eg5RCSB PDB    PDBbind178aa, >3EG5:A|PDBID|CHAIN|... at 98%
3qbvRCSB PDB    PDBbind178aa, >3QBV:C|PDBID|CHAIN|... at 98%
4yc7RCSB PDB    PDBbind181aa, >4YC7:A|PDBID|CHAIN|... at 97%
4ydhRCSB PDB    PDBbind181aa, >4YDH:D|PDBID|CHAIN|... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1a4r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameg25k gtp-binding protein
Ligand NameGNH
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=0.22uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary ReferenceProtein Sci. v8 pp. 778-87, 1999
Ligand Properties
Formula C10H18N6O10P2
Molecular Weight 444.232
Exact Mass 444.056
No. of atoms 46
No. of bonds 48
Polar Surface Area 291.86
LOGP Value -5.89      (Computed with XLOGP3)
-2.08      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
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): P60953  
Entrez Gene IDNCBI Entrez Gene ID: 998  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences