Related entries of code: 3pd2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3pd3RCSB PDB    PDBbind147aa, >3pd3_B... at 92%
3pd4RCSB PDB    PDBbind147aa, >3pd4_B... at 92%
4rrqRCSB PDB    PDBbind147aa, >4rrq_B... at 92%
4rrrRCSB PDB    PDBbind147aa, >4rrr_B... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4rr6RCSB PDB    PDBbindA3S
4rrfRCSB PDB    PDBbindA3S
4rrqRCSB PDB    PDBbindA3S

Entry Information
PDB ID3pd2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThreonyl-tRNA synthetase(Pab-NTD)
Ligand NameA3S
EC.Number E.C.6.1.1.3
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)Kd=3.4uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) Proc.Natl.Acad.Sci.USA. Vol. 107:pp. 22117-22121
Ligand Properties
Formula C13H20N7O5
Molecular Weight 354.342
Exact Mass 354.153
No. of atoms 45
No. of bonds 47
Polar Surface Area 196.28
LOGP Value -2.61      (Computed with XLOGP3)
-3.28      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
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): Q9UZ14  
Entrez Gene IDNCBI Entrez Gene ID: 1496731  
ASDInformation of known allosteric effects of PDB entries

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
 
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 ©2007-2013    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences