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: 4rhx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4rhuRCSB PDB    PDBbind201aa, >4RHU_1|Chains... *
4rhyRCSB PDB    PDBbind201aa, >4RHY_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 ID4rhx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase, MtHGPRT
Ligand Name3QF
EC.Number E.C.2.4.2.8
Resolution 2.03(Å)
Affinity (Kd/Ki/IC50)Ki=1.6uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 4822-4838
Ligand Properties
Formula C15H31N7O8P2
Molecular Weight 499.396
Exact Mass 499.171
No. of atoms 63
No. of bonds 64
Polar Surface Area 264.1
LOGP Value -10.12      (Computed with XLOGP3)
-5.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 15
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): P9WHQ9  
Entrez Gene IDNCBI Entrez Gene ID: 885398  
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