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: 5knu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g9sRCSB PDB    PDBbind182aa, >1G9S_1|Chains... *
1g9tRCSB PDB    PDBbind182aa, >1G9T_1|Chains... at 100%
5knrRCSB PDB    PDBbind182aa, >5KNR_1|Chains... at 99%
5knsRCSB PDB    PDBbind182aa, >5KNS_1|Chains... at 99%
5kntRCSB PDB    PDBbind182aa, >5KNT_1|Chains... at 99%
5knvRCSB PDB    PDBbind182aa, >5KNV_1|Chains... at 99%
5knxRCSB PDB    PDBbind182aa, >5KNX_1|Chains... 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 ID5knu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHypoxanthine Phosphoribosyltransferase
Ligand Name6WA
EC.Number E.C.-.-.-.-
Resolution 2.81(Å)
Affinity (Kd/Ki/IC50)Ki=2.8uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemistryselect Vol. 1: pp. 6267-6276
Ligand Properties
Formula C13H24N4O7P2
Molecular Weight 410.300
Exact Mass 410.112
No. of atoms 50
No. of bonds 51
Polar Surface Area 213.34
LOGP Value -5.88      (Computed with XLOGP3)
-0.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): P0A9M2  
Entrez Gene IDNCBI Entrez Gene ID: 61752630  946624  
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