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: 2rjs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qveRCSB PDB    PDBbind528aa, >2QVE_1|Chains... at 100%
2rjrRCSB PDB    PDBbind539aa, >2RJR_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2rjs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine Aminomutase
Ligand Name296
EC.Number E.C.5.4.3.6
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=5.3mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg.Med.Chem.Lett. Vol. 18: pp. 3099-3102
Ligand Properties
Formula C10H12F2NO3
Molecular Weight 232.204
Exact Mass 232.079
No. of atoms 28
No. of bonds 28
Polar Surface Area 74.17
LOGP Value -0.37      (Computed with XLOGP3)
0.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): Q8GMG0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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