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: 5zni
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nw4RCSB PDB    PDBbind276aa, >1NW4_1|Chains... *
1q1gRCSB PDB    PDBbind276aa, >1Q1G_1|Chains... at 100%
6aqsRCSB PDB    PDBbind246aa, >6AQS_1|Chain... at 98%
5zncRCSB PDB    PDBbind245aa, >5ZNC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5zni
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePurine nucleoside phosphorylase
Ligand NameYMZ
EC.Number E.C.2.4.2.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=40.3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Sci Transl Med Vol. 11: pp. -
Ligand Properties
Formula C17H17F6N2O
Molecular Weight 379.320
Exact Mass 379.125
No. of atoms 43
No. of bonds 45
Polar Surface Area 49.73
LOGP Value 3.62      (Computed with XLOGP3)
4.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): Q8T9Z7  
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