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: 2isc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1z34RCSB PDB    PDBbind235aa, >1Z34_1|Chain... at 100%
2i4tRCSB PDB    PDBbind236aa, >2I4T_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2isc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepurine nucleoside phosphorylase(TvPNP)
Ligand Name223
EC.Number E.C.2.4.2.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=3.8nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry. 2007, 46, 659-668.
Ligand Properties
Formula C12H18N5O2
Molecular Weight 264.304
Exact Mass 264.146
No. of atoms 37
No. of bonds 39
Polar Surface Area 112.49
LOGP Value -0.81      (Computed with XLOGP3)
0.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): A2E7Y6  
Entrez Gene IDNCBI Entrez Gene ID: 4769164  
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