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: 1n3i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g2oRCSB PDB    PDBbind268aa, >1G2O_1|Chains... *
1i80RCSB PDB    PDBbind268aa, >1I80_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2p4sRCSB PDB    PDBbindDIH
3bgsRCSB PDB    PDBbindDIH

Entry Information
PDB ID1n3i
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepurine nucleoside phosphorylase
Ligand NameDIH
EC.Number E.C.2.4.2.1
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=1.3nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference BIOCHEMISTRY v42 pp. 6057-66, 2003
Ligand Properties
Formula C12H17N4O3
Molecular Weight 265.288
Exact Mass 265.130
No. of atoms 36
No. of bonds 38
Polar Surface Area 106.44
LOGP Value -1.06      (Computed with XLOGP3)
-0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 3
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): P9WP01  
Entrez Gene IDNCBI Entrez Gene ID: 45427302  887542  
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