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: 1nli
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jjrRCSB PDB    PDBbind247aa, >2JJR_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1jysRCSB PDB    PDBbindADE
2p8nRCSB PDB    PDBbindADE
2pqjRCSB PDB    PDBbindADE
3kpvRCSB PDB    PDBbindADE
4trcRCSB PDB    PDBbindADE

Entry Information
PDB ID1nli
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametrichosanthin alpha
Ligand NameADE
EC.Number E.C.3.2.2.22
Resolution 1.93(Å)
Affinity (Kd/Ki/IC50)Kd=260uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Toxicon v41 pp. 575-81, 2003
Ligand Properties
Formula C5H5N5
Molecular Weight 135.127
Exact Mass 135.054
No. of atoms 15
No. of bonds 16
Polar Surface Area 80.48
LOGP Value -0.25      (Computed with XLOGP3)
0.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): P09989  
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