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: 5xih
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5xigRCSB PDB    PDBbind500aa, >5XIG_1|Chains... *
5xiiRCSB PDB    PDBbind500aa, >5XII_1|Chains... at 100%
5xijRCSB PDB    PDBbind500aa, >5XIJ_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 ID5xih
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum prolyl-tRNA synthetase
Ligand Name86U
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=70nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Structure Vol. 25: pp. 1495-1505.e6
Ligand Properties
Formula C16H18F2N3O2
Molecular Weight 322.330
Exact Mass 322.137
No. of atoms 41
No. of bonds 43
Polar Surface Area 68.57
LOGP Value 1.32      (Computed with XLOGP3)
2.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): S8G8I1  
Entrez Gene IDNCBI Entrez Gene ID: 7896830  
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